SCHEMBL14980460

SCHEMBL14980460

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C1CCCN2C(=O)c1ccc(-c2cccnc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.41
NAMPT P43490 1/20 0.41
CYP51A1 Q16850 2/20 0.39
IDO1 P14902 1/20 0.39
CCKBR P32239 1/20 0.37
KDM5A P29375 1/20 0.37
AKR1C3 P42330 1/20 0.36
DGAT1 O75907 2/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 1/20 0.36
WNT1 P04628 1/20 0.35
DYRK1A Q13627 1/20 0.35
HTR2B P41595 1/20 0.35
SCD O00767 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL1550758 0.88 NAMPT (0.40) STAT6NAMPTCYP51A1IDO1KDM5A
SCHEMBL7942685 0.88 STAT6 (0.47) STAT6CYP51A1CCKBRKDM5AAKR1C3
SCHEMBL7942137 0.86 STAT6 (0.41) STAT6NAMPTCYP51A1CCKBRKDM5A
SCHEMBL14980527 0.86 CYP51A1 (0.41) STAT6CYP51A1CCKBRKDM5AAKR1C3
SCHEMBL2229951 0.85 CYP51A1 (0.39) STAT6CYP51A1CCKBRKDM5AAKR1C3
SCHEMBL7933189 0.85 STAT6 (0.42) STAT6CYP51A1IDO1CCKBRKDM5A
SCHEMBL14980442 0.85 STAT6 (0.48) STAT6CYP51A1CCKBRAKR1C3DRD2
SCHEMBL7934440 0.85 STAT6 (0.48) STAT6CYP51A1CCKBRAKR1C3DRD2
SCHEMBL14980542 0.84 STAT6 (0.43) STAT6CYP51A1CCKBRKDM5AAKR1C3
SCHEMBL14980528 0.84 STAT6 (0.40) STAT6CYP51A1CCKBRKDM5AAKR1C3

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
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 US disclosed