SCHEMBL5599501

SCHEMBL5599501

CCNC(=O)N1c2ccc(F)cc2C2(CCNCC2)C1CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
GNRHR P30968 1/20 0.37
KCNH2 Q12809 1/20 0.37
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
NAMPT P43490 1/20 0.34
DPP4 P27487 1/20 0.34
OPRL1 P41146 2/20 0.33
BCHE P06276 4/20 0.33
ACHE P22303 4/20 0.33
USP2 O75604 2/20 0.33
CYP2D6 P10635 2/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL5781576 0.88 ALDH1A1 (0.40) GNRHRKCNH2OPRM1OPRD1OPRK1
SCHEMBL5599511 0.85 TP53 (0.39) KDM1ATP53ALDH1A1
SCHEMBL5599714 0.83 LMNA (0.36) KDM1AGNRHRKCNH2OPRM1OPRK1
SCHEMBL5599755 0.83 KDM1A (0.35) KDM1AGNRHRKCNH2OPRM1OPRD1
SCHEMBL5783985 0.82 DPP4 (0.34) KDM1AGNRHRKCNH2PSEN1PSEN2
SCHEMBL5599739 0.82 OPRM1 (0.36) KDM1AGNRHRKCNH2OPRM1OPRK1
SCHEMBL5599230 0.82 TPSAB1 (0.38) KDM1AGNRHRKCNH2OPRM1OPRK1
SCHEMBL5599358 0.82 PARP1 (0.36) KDM1AGNRHRKCNH2PSEN1PSEN2
SCHEMBL5599242 0.81 CYP3A4 (0.38) GNRHRKCNH2OPRK1CYP2D6TP53
SCHEMBL5616077 0.81 TPSAB1 (0.38) KDM1AGNRHRKCNH2OPRM1OPRK1

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