SCHEMBL5202582

SCHEMBL5202582

CC(c1ccc(Cl)cc1)C(CNC(=O)C1(C)CCCO1)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ITGB1 P05556 10/20 0.38
ITGA4 P13612 10/20 0.38
ITGB7 P26010 2/20 0.36
GLS O94925 1/20 0.35
P2RX7 Q99572 1/20 0.35
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL5201238 0.81 ITGB1 (0.45) MEN1RAB9AKMT2ASMN1; SMN2ITGB1
SCHEMBL5205537 0.79 HDAC4 (0.42) MEN1RAB9AKMT2ASMN1; SMN2P2RX7
SCHEMBL14064692 0.79 CNR1 (0.50) ITGB1ITGA4ITGB7
SCHEMBL4825568 0.79 CNR1 (0.50) ITGB1ITGA4ITGB7
SCHEMBL5202986 0.78 KMT2A (0.40) MEN1RAB9AKMT2ASMN1; SMN2P2RX7
SCHEMBL5480925 0.77 PPARA (0.36) MEN1RAB9AKMT2ASMN1; SMN2P2RX7
SCHEMBL5492414 0.76 TP53 (0.43) MEN1RAB9AKMT2ASMN1; SMN2P2RX7
SCHEMBL5203472 0.74 RAB9A (0.38) MEN1RAB9AKMT2ASMN1; SMN2P2RX7
SCHEMBL5200569 0.74 TRPA1 (0.46) SMN1; SMN2ALDH1A1
SCHEMBL5203464 0.73 ALDH1A1 (0.48) MEN1RAB9AKMT2ASMN1; SMN2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP claimed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP claimed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 WO claimed