SCHEMBL11441498

SCHEMBL11441498

O=C(O)c1ccc(CCNC(=O)c2cc(Cl)ccc2N2CCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 6/20 0.56
▸ POLB P06746 1/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CNR1 P21554 3/20 0.49
▸ CXCR3 P49682 1/20 0.48
▸ SERPINE1 P05121 1/20 0.47
▸ DNMT3A Q9Y6K1 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ SMN1; SMN2 Q16637 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
SCHEMBL11165531 0.99 MCHR1 (0.55) MCHR1POLBCYP2D6CHRM1HTR2A
SCHEMBL10356773 0.99 MCHR1 (0.55) MCHR1POLBCYP2D6CHRM1HTR2A
SCHEMBL11165965 0.99 MCHR1 (0.55) MCHR1POLBCYP2D6CHRM1HTR2A
SCHEMBL11188865 0.91 POLB (0.56) MCHR1POLBCYP2D6CHRM1HTR2A
SCHEMBL11302230 0.91 MCHR1 (0.60) MCHR1POLBCYP2D6CHRM1HTR2A
SCHEMBL11194495 0.90 EGFR (0.53) MCHR1POLBMAPTLMNANPC1
SCHEMBL11201219 0.90 MAPT (0.48) MCHR1POLBCYP2D6CHRM1HTR2A
SCHEMBL11196583 0.90 MCHR1 (0.53) MCHR1CYP2D6CHRM1HTR2AMAPT
SCHEMBL11178712 0.90 POLB (0.55) MCHR1POLBCYP2D6CHRM1HTR2A
SCHEMBL11197083 0.89 MAPT (0.52) MCHR1POLBMAPTLMNACNR1

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
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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