SCHEMBL5599346

SCHEMBL5599346

C=CC[C@@H]1c2ccccc2C2(CCNCC2)CN1C(=O)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
GRIN2C Q14957 3/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
GRIN2D O15399 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
CNR2 P34972 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
SCHEMBL5599671 0.83 KMT2A (0.33) KMT2AGAACHRM3
SCHEMBL5599653 0.81 KMT2A (0.41) KMT2ASMN1; SMN2GAA
SCHEMBL5599341 0.81 TSHR (0.33) KMT2ATP53GAAOPRM1
SCHEMBL5599440 0.80 MCHR2 (0.33) KMT2ATP53
SCHEMBL5599778 0.75 KMT2A (0.39) KMT2A
SCHEMBL5599143 0.74 CYP2C9 (0.37)
SCHEMBL5578696 0.67 SIGMAR1 (0.47) KMT2ACHRM2CHRM3
SCHEMBL5780939 0.65 OPRD1 (0.45) OPRM1OPRD1OPRK1
SCHEMBL4116754 0.65 ACE (0.35)
SCHEMBL3994423 0.64 DPP9 (0.35) KMT2AOPRM1

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
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO claimed