SCHEMBL8056977

SCHEMBL8056977

Cc1cccc(NC(=O)N2CCC(=O)c3ccccc3N(Cc3ccccc3)C(=O)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.50
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NLRP3 Q96P20 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
BCHE P06276 1/20 0.46
CES1 P23141 1/20 0.46
GRIN2B Q13224 1/20 0.45
TACR1 P25103 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.44
KDR P35968 1/20 0.44
NPC1 O15118 1/20 0.43
BRD4 O60885 1/20 0.43
EP300 Q09472 1/20 0.43
CREBBP Q92793 1/20 0.43

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
SCHEMBL8066440 0.91 FAAH (0.48) FAAHRAB9ASMN1; SMN2NLRP3ALDH1A1
SCHEMBL8056976 0.90 BCHE (0.49) FAAHRAB9AALDH1A1MAPTBCHE
SCHEMBL8072817 0.85 RAB9A (0.54) RAB9AALDH1A1BCHECES1
SCHEMBL8067778 0.85 ALDH1A1 (0.52) FAAHRAB9ASMN1; SMN2NLRP3ALDH1A1
SCHEMBL8067453 0.85 BCHE (0.46) FAAHRAB9AALDH1A1MAPTBCHE
SCHEMBL8068660 0.83 CCKBR (0.52) FAAHRAB9AALDH1A1MAPTBCHE
SCHEMBL8902949 0.82 FAAH (0.54) FAAHRAB9ASMN1; SMN2NLRP3ALDH1A1
SCHEMBL8068738 0.82 FAAH (0.56) FAAHRAB9ASMN1; SMN2NLRP3ALDH1A1
SCHEMBL8071083 0.82 FAAH (0.56) FAAHRAB9ASMN1; SMN2NLRP3ALDH1A1
SCHEMBL8071036 0.80 FAAH (0.54) FAAHRAB9ASMN1; SMN2NLRP3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057311-A TREATING EATING DISORDERS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-02 US disclosed
WO-1997032860-A1 BENZODIAZONINE DERIVATIVES BINDING TO CHOLECYSTOKININ OR GASTRIN RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 1997-09-12 WO disclosed