SCHEMBL5599710

SCHEMBL5599710

O=C1c2ccccc2-c2cccc(C(=O)N3c4ccc(F)cc4C4(CCNCC4)[C@H]3CC3CC3)c21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
GNRHR P30968 1/20 0.33
KCNH2 Q12809 1/20 0.33
FUCA1 P04066 2/20 0.33
MAPT P10636 1/20 0.33
CHRM1 P11229 2/20 0.32
TPSAB1 Q15661 2/20 0.31
TPSD1 Q9BZJ3 2/20 0.31
TPSG1 Q9NRR2 2/20 0.31
HTT P42858 1/20 0.31
NR3C2 P08235 1/20 0.31
ALOX15 P16050 1/20 0.30
SYK P43405 1/20 0.30
PARK7 Q99497 1/20 0.30
CRHR1 P34998 1/20 0.30

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
SCHEMBL5782306 0.86 HTR2A (0.40) LMNAGNRHRKCNH2HTTNR3C2
SCHEMBL5599389 0.84 GNRHR (0.40) GNRHRKCNH2CHRM1CRHR1
SCHEMBL5600002 0.84 P2RX7 (0.37) ALDH1A1GNRHRKCNH2CHRM1ALOX15
SCHEMBL5599374 0.84 GNRHR (0.40) GNRHRKCNH2CHRM1CRHR1
SCHEMBL5782925 0.83 LMNA (0.39) ALDH1A1LMNAPOLBMAPTTPSAB1
SCHEMBL5783985 0.82 DPP4 (0.34) GNRHRKCNH2CRHR1
SCHEMBL5599358 0.82 PARP1 (0.36) GNRHRKCNH2CHRM1CRHR1
SCHEMBL5599242 0.81 CYP3A4 (0.38) ALDH1A1GNRHRKCNH2HTT
SCHEMBL5600630 0.79 GNRHR (0.36) ALDH1A1LMNAGNRHRKCNH2CHRM1
SCHEMBL5599733 0.78 HSD11B1 (0.40) ALDH1A1LMNAGNRHRKCNH2MAPT

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