SCHEMBL5635880

SCHEMBL5635880

Cc1ccc(C[C@@H]2c3ccccc3C3(CCNCC3)CN2C(=O)c2cccc3ccccc23)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.44
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CBX7 O95931 1/20 0.33
CDY1; CDY1B Q9Y6F8 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
NR1D1 P20393 3/20 0.32
DRD4 P21917 1/20 0.32
AVPR1A P37288 1/20 0.32
CCR5 P51681 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CNR2 P34972 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL5599702 0.81 HSD11B1 (0.35) OPRM1
SCHEMBL5635671 0.81 EED (0.37) MEN1KMT2ACBX7CDY1; CDY1BNR1D1
SCHEMBL5578487 0.69 GRIN2B (0.60) GRIN2BMEN1KMT2APTGDRPTGDR2
SCHEMBL5781285 0.68 GRIN2B (0.48) GRIN2BMEN1KMT2APTGDRPTGDR2
SCHEMBL5582460 0.68 GRIN2B (0.63) GRIN2BMEN1KMT2APTGDRPTGDR2
SCHEMBL5599341 0.67 TSHR (0.33) MEN1KMT2AKDM4EOPRM1
SCHEMBL5580211 0.66 AVPR1A (0.43) MEN1KMT2AAVPR1ACCR5
SCHEMBL5599778 0.66 KMT2A (0.39) MEN1KMT2AKDM4E
SCHEMBL5599270 0.65 NOTUM (0.33) OPRM1OPRD1
SCHEMBL5599440 0.64 MCHR2 (0.33) MEN1KMT2AKDM4E

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-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed