SCHEMBL5778387

SCHEMBL5778387

C=CC[C@H]1N(C(=O)C2CCCCC2)c2ccc(F)cc2C12CCNCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
GNRHR P30968 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
TP53 P04637 2/20 0.33
KCNH2 Q12809 1/20 0.33
HSD11B1 P28845 1/20 0.33
DPP4 P27487 1/20 0.33
KDM1A O60341 2/20 0.32
LMNA P02545 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
USP2 O75604 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 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
SCHEMBL5599739 0.86 OPRM1 (0.36) OPRM1OPRK1OPRL1GNRHRPSEN1
SCHEMBL5781865 0.86 BCHE (0.36) OPRM1OPRK1OPRL1
SCHEMBL5599755 0.85 KDM1A (0.35) OPRM1OPRK1OPRL1GNRHRPSEN1
SCHEMBL5600486 0.83 GNRHR (0.36) OPRM1OPRK1OPRL1GNRHRPSEN1
SCHEMBL5599714 0.83 LMNA (0.36) OPRM1OPRK1OPRL1GNRHRPSEN1
SCHEMBL5599816 0.82 TP53 (0.38) OPRM1OPRK1OPRL1GNRHRTP53
SCHEMBL5786885 0.82 GNRHR (0.33) GNRHRPSEN1PSEN2APH1BNCSTN
SCHEMBL5786887 0.80 GNRHR (0.41) GNRHRPSEN1PSEN2APH1BNCSTN
SCHEMBL5780824 0.80 GNRHR (0.37) GNRHRPSEN1PSEN2APH1BNCSTN
SCHEMBL5599427 0.79 DPP4 (0.36) GNRHRDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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