SCHEMBL6953443

SCHEMBL6953443

COC(=O)C(Cc1cccnc1)NC(=O)CNC(=O)CCCCNC=NN

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.45
MAPT P10636 1/20 0.43
CYP3A4 P08684 2/20 0.42
FAAH O00519 2/20 0.42
POLB P06746 1/20 0.42
TPSAB1 Q15661 1/20 0.41
PTAFR P25105 1/20 0.41
HDAC6 Q9UBN7 8/20 0.41
HDAC1 Q13547 7/20 0.41

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
SCHEMBL6952538 0.92 FAAH (0.44) NLRP3MAPTCYP3A4FAAHPTAFR
SCHEMBL6949829 0.90 FAAH (0.41) NLRP3MAPTCYP3A4FAAHPOLB
SCHEMBL6358943 0.90 FOLH1 (0.48) MAPTCYP3A4FAAHPTAFR
SCHEMBL6954777 0.89 FOLH1 (0.47) MAPTCYP3A4FAAHPTAFR
SCHEMBL7393082 0.78 FLT4 (0.46) NLRP3CYP3A4FAAHPOLBPTAFR
SCHEMBL4924109 0.77 ITGB3 (0.52) PTAFR
SCHEMBL6947579 0.76 ITGB3 (0.51) MAPTCYP3A4PTAFRHDAC6
SCHEMBL8496788 0.76 CYP3A4 (0.64) MAPTCYP3A4FAAHPOLBPTAFR
SCHEMBL6950532 0.75 L3MBTL1 (0.41) NLRP3CYP3A4
SCHEMBL6358935 0.75 FOLH1 (0.49) MAPTCYP3A4FAAHPTAFR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804418-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-03-26 EP claimed
US-5639765-A OSTEOPOROSIS, PAGET*S DISEASE G. D. SEARLE & CO. (US) 1997-06-17 US claimed
US-5602155-A GUANIDINO ALKYL AND PYRIDINE CARBOXYLATE SUBSTITUTED AMIDES G. D. SEARLE & CO. (US) 1997-02-11 US claimed
WO-1996023771-A2 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-08-08 WO claimed
EP-0804418-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-03-26 EP disclosed
US-5639765-A OSTEOPOROSIS, PAGET*S DISEASE G. D. SEARLE & CO. (US) 1997-06-17 US disclosed
US-5602155-A GUANIDINO ALKYL AND PYRIDINE CARBOXYLATE SUBSTITUTED AMIDES G. D. SEARLE & CO. (US) 1997-02-11 US disclosed
WO-1996023771-A2 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-08-08 WO disclosed