SCHEMBL6876269

SCHEMBL6876269

C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)cn2)CCN1C(=O)C(NC(=O)c1cc2ccccc2[nH]1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.44
HTR2B P41595 1/20 0.42
CYP51A1 Q16850 1/20 0.41
KDM5A P29375 2/20 0.41
HRH4 Q9H3N8 2/20 0.41
STAT6 P42226 1/20 0.38
AKR1C3 P42330 1/20 0.38
DRD2 P14416 1/20 0.37
SYK P43405 1/20 0.37
SLC6A7 Q99884 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
SCHEMBL14980536 0.88 HTR2B (0.46) HTR2BCYP51A1KDM5AHRH4STAT6
SCHEMBL2229951 0.86 CYP51A1 (0.39) HTR2BCYP51A1KDM5AHRH4STAT6
SCHEMBL2228283 0.86 CYP51A1 (0.48) CYP51A1HRH4STAT6AKR1C3DRD2
SCHEMBL19856859 0.85 CYP51A1 (0.40) HTR2BCYP51A1KDM5AHRH4STAT6
SCHEMBL1550050 0.85 CYP51A1 (0.40) HTR2BCYP51A1KDM5AHRH4STAT6
SCHEMBL1549976 0.85 CYP51A1 (0.40) HTR2BCYP51A1KDM5AHRH4STAT6
SCHEMBL6872132 0.83 KDM5A (0.44) HTR2BCYP51A1KDM5ADRD2
SCHEMBL2227969 0.82 HRH4 (0.45) CYP51A1KDM5AHRH4STAT6DRD2
SCHEMBL1550049 0.81 DRD2 (0.37) HTR2BCYP51A1KDM5AHRH4STAT6
SCHEMBL12552765 0.81 DRD2 (0.37) CYP51A1KDM5ASTAT6DRD2

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
WO-2011091410-A1 TRPV4 ANTAGONISTS GLAXOS SMITHKLINE LLC (US) 2011-07-28 WO disclosed