SCHEMBL27504185

SCHEMBL27504185

O=C1CC[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC(=O)[C@@H]2CCCN2)N1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 2/20 0.59
▸ REN P00797 5/20 0.44
▸ CAPN1 P07384 2/20 0.40
▸ HDAC3 O15379 5/20 0.38
▸ HDAC11 Q96DB2 5/20 0.38
▸ HDAC6 Q9UBN7 5/20 0.38
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC2 Q92769 4/20 0.38
▸ HDAC10 Q969S8 4/20 0.38
▸ HDAC8 Q9BY41 4/20 0.38
▸ GNRHR P30968 1/20 0.38
▸ ABCC2 Q92887 1/20 0.37

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
SCHEMBL27639586 0.91 TRHR (0.49) TRHRRENCAPN1
SCHEMBL27448784 0.91 TRHR (0.49) TRHRRENCAPN1
SCHEMBL21219550 0.83 TRHR (0.43) TRHRRENCAPN1
SCHEMBL27518093 0.82 TRHR (0.43) TRHRRENCAPN1
SCHEMBL29352542 0.82 TRHR (0.61) TRHRRENCAPN1
SCHEMBL13799919 0.82 TRHR (0.61) TRHRRENCAPN1
SCHEMBL27502009 0.81 REN (0.42) TRHRRENCAPN1
SCHEMBL27504186 0.81 TRHR (0.41) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL21219553 0.81 REN (0.42) TRHRRENCAPN1
SCHEMBL31339185 0.81 EPHX2 (0.51) TRHRRENCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1194648-A Spiro [ 2H-1-benzopyran-2, 4' -piperidine ] -4- (3H) -one derivatives, acid addition salts thereof and pharmaceutical compositions containing them RICHTER GEDEON VEGY ZETI GYAR (HU) 1998-09-30 — — CN disclosed
Send feedback