SCHEMBL5599439

SCHEMBL5599439

O=C(C(c1ccccc1)c1ccccc1)N1c2ccc(F)cc2C2(CCNCC2)[C@H]1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.37
KCNH2 Q12809 1/20 0.37
TACR1 P25103 1/20 0.35
AGTR2 P50052 5/20 0.33
CCR5 P51681 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CCR2 P41597 2/20 0.32
METAP2 P50579 1/20 0.32

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
SCHEMBL5599203 0.84 GNRHR (0.39) GNRHRKCNH2HTR1ASLC6A2SLC6A4
SCHEMBL5599382 0.82 AGTR2 (0.36) GNRHRKCNH2AGTR2
SCHEMBL5599389 0.70 GNRHR (0.40) GNRHRKCNH2
SCHEMBL5599374 0.70 GNRHR (0.40) GNRHRKCNH2
SCHEMBL5780777 0.70 CHRM1 (0.40)
SCHEMBL5578967 0.70 OPRL1 (0.43)
SCHEMBL5599096 0.69 GNRHR (0.41) GNRHRKCNH2
SCHEMBL5786887 0.69 GNRHR (0.41) GNRHRKCNH2
SCHEMBL5779253 0.69 CHRM1 (0.38) GNRHRKCNH2
SCHEMBL5599231 0.68 TSHR (0.42)

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