SCHEMBL5599755

SCHEMBL5599755

O=C(C1CCCC1)N1c2ccc(F)cc2C2(CCNCC2)[C@H]1CC1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
DPP4 P27487 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 1/20 0.34
LMNA P02545 1/20 0.34
GNRHR P30968 1/20 0.34
KCNH2 Q12809 1/20 0.34
TP53 P04637 3/20 0.34
HSD11B1 P28845 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
USP2 O75604 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
CRHR1 P34998 2/20 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
SCHEMBL5599739 0.99 OPRM1 (0.36) KDM1ADPP4OPRM1OPRK1OPRL1
SCHEMBL5599714 0.98 LMNA (0.36) KDM1ADPP4OPRM1OPRK1OPRL1
SCHEMBL5778387 0.85 OPRM1 (0.35) KDM1ADPP4OPRM1OPRK1OPRL1
SCHEMBL5599230 0.85 TPSAB1 (0.38) KDM1ADPP4OPRM1OPRK1OPRL1
SCHEMBL5599511 0.84 TP53 (0.39) KDM1ATP53CRHR1SMYD3
SCHEMBL5783158 0.84 BCHE (0.38) OPRM1OPRK1OPRL1HSD11B1MEN1
SCHEMBL5616077 0.84 TPSAB1 (0.38) KDM1ADPP4OPRM1OPRK1OPRL1
SCHEMBL5599816 0.84 TP53 (0.38) KDM1ADPP4OPRM1OPRK1OPRL1
SCHEMBL5599501 0.83 KDM1A (0.37) KDM1ADPP4OPRM1OPRK1OPRL1
SCHEMBL5599358 0.83 PARP1 (0.36) KDM1ADPP4GNRHRKCNH2TP53

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