SCHEMBL18576149

SCHEMBL18576149

O=[SH](=O)N1CCC(Cn2c(C3CC3)nc3ccc(C(O)(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.39
▸ ACSS2 Q9NR19 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ CNR2 P34972 3/20 0.37
▸ ALOX5 P09917 2/20 0.37
▸ P2RX3 P56373 2/20 0.36
▸ P2RX2 Q9UBL9 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL18547067 0.86 CNR1 (0.53) CNR1CNR2
SCHEMBL18576450 0.80 CNR2 (0.42) MCHR1CNR1CNR2ALOX5
SCHEMBL18562614 0.77 LMNA (0.40) MCHR1NPC1LMNAMAPTRAB9A
SCHEMBL18547493 0.76 CNR2 (0.49) MCHR1ACSS2NPC1LMNAMAPT
SCHEMBL18547002 0.75 P2RX3 (0.45) MCHR1NPC1LMNAMAPTRAB9A
SCHEMBL18546889 0.75 CNR1 (0.46) CNR1CNR2
SCHEMBL18547177 0.74 ACSS2 (0.43) MCHR1ACSS2NPC1LMNAMAPT
SCHEMBL18562613 0.74 P2RX3 (0.40) MCHR1NPC1LMNAMAPTRAB9A
SCHEMBL18547185 0.73 CNR2 (0.46) MCHR1ACSS2NPC1LMNAMAPT
SCHEMBL18547130 0.73 KCNH2 (0.40) MCHR1ACSS2NPC1LMNAMAPT

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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