SCHEMBL11302230

SCHEMBL11302230

O=C(O)c1ccc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)ccc2N2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 13/20 0.60
▸ CHRM1 P11229 2/20 0.58
▸ HTR2A P28223 2/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ POLB P06746 1/20 0.51
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PSEN1 P49768 1/20 0.48
▸ PSEN2 P49810 1/20 0.48
▸ APH1B Q8WW43 1/20 0.48
▸ NCSTN Q92542 1/20 0.48
▸ APH1A Q96BI3 1/20 0.48
▸ PSENEN Q9NZ42 1/20 0.48
▸ THRB P10828 1/20 0.47
▸ CNR1 P21554 3/20 0.47

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 0.92 MCHR1 (0.55) MCHR1CHRM1HTR2ACYP2D6POLB
SCHEMBL10356773 0.92 MCHR1 (0.55) MCHR1CHRM1HTR2ACYP2D6POLB
SCHEMBL11165531 0.92 MCHR1 (0.55) MCHR1CHRM1HTR2ACYP2D6POLB
SCHEMBL11441498 0.91 MCHR1 (0.56) MCHR1CHRM1HTR2ACYP2D6POLB
SCHEMBL11178712 0.87 POLB (0.55) MCHR1CHRM1HTR2ACYP2D6POLB
SCHEMBL11188865 0.86 POLB (0.56) MCHR1CHRM1HTR2ACYP2D6POLB
SCHEMBL11196583 0.85 MCHR1 (0.53) MCHR1CHRM1HTR2ACYP2D6LMNA
SCHEMBL11200220 0.83 POLB (0.54) POLBLMNAMAPT
SCHEMBL11194691 0.83 POLB (0.52) MCHR1CHRM1HTR2ACYP2D6POLB
SCHEMBL11198118 0.83 POLB (0.54) MCHR1POLBMAPTCNR1

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-0056144-A1 Carboxylic acid derivatives, their preparation and use as pharmaceuticals Dr. Karl Thomae GmbH (DE) 1982-07-21 — — EP disclosed
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