SCHEMBL18576450

SCHEMBL18576450

O=[SH](=O)N1CCC(Cn2c(C3CCC3)nc3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.42
▸ ALOX5 P09917 2/20 0.40
▸ CNR1 P21554 14/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MCHR1 Q99705 1/20 0.37

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
SCHEMBL18547408 0.84 CNR1 (0.56) CNR2CNR1
SCHEMBL18547289 0.83 CNR1 (0.47) CNR2CNR1
SCHEMBL18546934 0.81 CNR2 (0.51) CNR2ALOX5CNR1MCHR1
SCHEMBL18547178 0.81 SOS1 (0.44) CNR2ALOX5CNR1MCHR1
SCHEMBL18547399 0.80 CNR1 (0.58) CNR2CNR1
Trifluoroacetic Acid SCHEMBL18546915 0.80 CNR1 (0.53) CNR2CNR1
SCHEMBL18576149 0.80 MCHR1 (0.39) CNR2ALOX5CNR1MCHR1
SCHEMBL18547060 0.78 CNR1 (0.57) CNR2CNR1
SCHEMBL18547548 0.78 CNR1 (0.60) CNR2CNR1MEN1KMT2A
SCHEMBL18547510 0.77 CNR1 (0.44) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 — — WO disclosed
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