SCHEMBL11196583

SCHEMBL11196583

O=C(O)c1ccc(CCNC(=O)c2ccc(Cl)cc2N2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 6/20 0.53
▸ CYP2D6 P10635 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ CNR1 P21554 6/20 0.51
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PTGS2 P35354 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL11165965 0.91 MCHR1 (0.55) MCHR1CYP2D6CHRM1HTR2ACNR1
SCHEMBL11165531 0.91 MCHR1 (0.55) MCHR1CYP2D6CHRM1HTR2ACNR1
SCHEMBL10356773 0.91 MCHR1 (0.55) MCHR1CYP2D6CHRM1HTR2ACNR1
SCHEMBL11441498 0.90 MCHR1 (0.56) MCHR1CYP2D6CHRM1HTR2ACNR1
SCHEMBL11302230 0.85 MCHR1 (0.60) MCHR1CYP2D6CHRM1HTR2ACNR1
SCHEMBL11178712 0.84 POLB (0.55) MCHR1CYP2D6CHRM1HTR2ACNR1
SCHEMBL11188865 0.83 POLB (0.56) MCHR1CYP2D6CHRM1HTR2ACNR1
SCHEMBL11194691 0.83 POLB (0.52) MCHR1CYP2D6CHRM1HTR2ALMNA
SCHEMBL11204199 0.82 MCHR1 (0.54) MCHR1CYP2D6CHRM1HTR2ACNR1
SCHEMBL11191291 0.81 HSD17B10 (0.57) MCHR1CNR1LMNAMAPTTSHR

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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