SCHEMBL6954404

SCHEMBL6954404

COC(=O)N(Cc1cc(C#N)ccc1OC)c1c(C)nn(CC(C)C)c1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.40
RAB9A P51151 1/20 0.39
GNRHR P30968 1/20 0.36
CNR1 P21554 3/20 0.34
SETDB1 Q15047 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
PDE4D Q08499 4/20 0.34
P2RX7 Q99572 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
SLC6A4 P31645 1/20 0.33
XIAP P98170 1/20 0.33

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
SCHEMBL6972880 0.86 POLB (0.43) RAB9AMEN1KMT2A
SCHEMBL6964459 0.75 IDH1 (0.37) SLC6A4
SCHEMBL6957643 0.67 MEP1A (0.42) P2RX7
SCHEMBL6972391 0.67 MEP1A (0.39) SLC6A4
SCHEMBL6970716 0.67 F11 (0.39) MEN1KMT2ASLC6A4
SCHEMBL6967559 0.66 PDK1 (0.39) MEN1KMT2ASLC6A4
SCHEMBL6960685 0.66 MEP1A (0.38) MEN1KMT2ASLC6A4
SCHEMBL931667 0.63 SLC6A4 (0.50) OPRM1OPRL1MEN1KMT2ASLC6A4
SCHEMBL5099691 0.62 HSD17B10 (0.62) MEN1KMT2ASLC6A4
SCHEMBL15687214 0.62 ADORA2A (0.38) SLC6A4

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed