SCHEMBL7649422

SCHEMBL7649422

O=C1CCCC(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NC(=O)C2CSCN2)N1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 5/20 0.43
▸ HDAC3 O15379 10/20 0.38
▸ HDAC11 Q96DB2 10/20 0.38
▸ HDAC6 Q9UBN7 10/20 0.38
▸ HDAC1 Q13547 9/20 0.38
▸ HDAC10 Q969S8 9/20 0.38
▸ HDAC8 Q9BY41 9/20 0.38
▸ HDAC2 Q92769 8/20 0.38
▸ NCOR2 Q9Y618 3/20 0.37
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ NAA50 Q9GZZ1 3/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10589314 0.86 CREBBP (0.33) TRHR
SCHEMBL27504186 0.86 TRHR (0.41) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL1370995 0.85 TRHR (0.41) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL11440014 0.81 TRHR (0.47) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL11445107 0.81 TRHR (0.47) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL7775353 0.81 TRHR (0.41) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL27448785 0.80 TRHR (0.37) TRHRHDAC3HDAC11HDAC6HDAC1
Indacrinone SCHEMBL11409556 0.79 CYP3A4 (0.37) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL11029979 0.79 TRHR (0.43) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL11816929 0.79 TRHR (0.38) TRHRHDAC3HDAC11HDAC6HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083032-B1 RECTALLY ADMINISTRABLE SUPPOSITORY COMPRISING A DRUG AND AN ADJUVANT MERCK & CO. INC. (US) 1989-09-20 — — EP claimed
US-4440740-A α-Keto aldehydes as enhancing agents of gastro-intestinal drug absorption MERCK & CO., INC. (US) 1984-04-03 — — US claimed
EP-0083032-A2 Rectally administrable suppository comprising a drug and an adjuvant MERCK & CO. INC. (US) 1983-07-06 — — EP claimed
EP-0036145-A1 An orally administered drug form comprising a polar bioactive agent and an adjuvant INTERx RESEARCH CORPORATION (US) 1981-09-23 — — EP claimed
EP-0031561-A2 A rectally administered suppository comprising a drug and an adjuvant MERCK & CO. INC. (US) 1981-07-08 — — EP claimed
EP-0651761-B1 METHOD FOR MODIFICATION OF RECOMBINANT POLYPEPTIDES BIONEBRASKA INC (US) 2002-10-09 — — EP disclosed
EP-1170300-A1 Method for modification of recombinant polypeptides BIONEBRASKA, INC. (US) 2002-01-09 — — EP disclosed
US-5656456-A Chemical method for selective modification of the N- and/or C-terminal amino acid α-carbon reactive group of a recombinant polypeptide or a portion thereof BIONEBRASKA, INC. (US) 1997-08-12 — — US disclosed
US-5635371-A Chemical method for selective modification of the N- and/or C-terminal amino acid α-carbon reactive group of a recombinant polypeptide or a portion thereof BIONEBRASKA, INC. (US) 1997-06-03 — — US disclosed
EP-0651761-A1 METHOD FOR MODIFICATION OF RECOMBINANT POLYPEPTIDES BIONEBRASKA, INC. (US) 1995-05-10 — — EP disclosed
WO-1994001451-A2 METHOD FOR MODIFICATION OF RECOMBINANT POLYPEPTIDES BIONEBRASKA, INC. (US) 1994-01-20 — — WO disclosed
EP-0083032-B1 RECTALLY ADMINISTRABLE SUPPOSITORY COMPRISING A DRUG AND AN ADJUVANT MERCK & CO. INC. (US) 1989-09-20 — — EP disclosed
US-4464363-A HYDROXY ARYL- OR HYDROXY ARALKYL ACIDS OR SALTS MERCK & CO., INC. (US) 1984-08-07 — — US disclosed
US-4442090-A ACYLATED AMINO ACID KYOTO YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1984-04-10 — — US disclosed
US-4440740-A α-Keto aldehydes as enhancing agents of gastro-intestinal drug absorption MERCK & CO., INC. (US) 1984-04-03 — — US disclosed
EP-0036145-A1 An orally administered drug form comprising a polar bioactive agent and an adjuvant INTERx RESEARCH CORPORATION (US) 1981-09-23 — — EP disclosed
EP-0031561-A2 A rectally administered suppository comprising a drug and an adjuvant MERCK & CO. INC. (US) 1981-07-08 — — EP disclosed
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