SCHEMBL11188865

SCHEMBL11188865

O=C(NCCc1ccc(Cl)cc1)c1cc(Cl)ccc1N1CCCCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ CNR1 P21554 5/20 0.55
▸ MCHR1 Q99705 5/20 0.55
▸ CYP2D6 P10635 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PTGS2 P35354 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ DNMT3A Q9Y6K1 1/20 0.50

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
SCHEMBL11220179 0.94 MCHR1 (0.54) POLBCNR1MCHR1CYP2D6CHRM1
SCHEMBL11441073 0.93 POLB (0.52) POLBCNR1MCHR1CYP2D6CHRM1
SCHEMBL11189302 0.93 POLB (0.52) POLBCNR1MCHR1CYP2D6CHRM1
Hydrochloric Acid SCHEMBL11182793 0.93 POLB (0.52) POLBCNR1MCHR1CYP2D6CHRM1
SCHEMBL11191067 0.93 HSD17B10 (0.57) POLBCNR1MCHR1LMNAMAPT
SCHEMBL11191291 0.93 HSD17B10 (0.57) POLBCNR1MCHR1LMNAMAPT
SCHEMBL11194063 0.92 POLB (0.52) POLBCNR1MCHR1CYP2D6CHRM1
SCHEMBL11165531 0.92 MCHR1 (0.55) POLBCNR1MCHR1CYP2D6CHRM1
SCHEMBL11165965 0.92 MCHR1 (0.55) POLBCNR1MCHR1CYP2D6CHRM1
Hydrochloric Acid SCHEMBL11185021 0.92 POLB (0.54) POLBCNR1MCHR1PTGS2NPC1

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-0023569-B1 DERIVATIVES OF CARBOXYLIC ACIDS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-06-22 — — EP disclosed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 — — EP disclosed
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