SCHEMBL18576589

SCHEMBL18576589

OC1(Cn2c(C3CC3)nc3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc32)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 16/20 0.40
▸ SOS1 Q07889 2/20 0.38
▸ CNR2 P34972 2/20 0.37
▸ MCHR1 Q99705 1/20 0.35

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
SCHEMBL18547178 0.82 SOS1 (0.44) CNR1SOS1CNR2MCHR1
SCHEMBL18547007 0.81 CNR1 (0.52) CNR1CNR2
SCHEMBL18547535 0.81 NPC1 (0.38) SOS1MCHR1
SCHEMBL18547397 0.79 JAK2 (0.46) CNR1MCHR1
SCHEMBL18547282 0.78 NPC1 (0.38) SOS1MCHR1
SCHEMBL18562587 0.77 CNR1 (0.48) CNR1SOS1CNR2MCHR1
SCHEMBL18546978 0.77 CYP11B1 (0.41) CNR1SOS1CNR2
Hydrochloric Acid SCHEMBL18546996 0.76 CNR1 (0.47) CNR1SOS1CNR2MCHR1
SCHEMBL18547059 0.75 JAK2 (0.47) CNR1MCHR1
SCHEMBL18547113 0.75 PRCP (0.41) CNR1CNR2

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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