SCHEMBL4059203

SCHEMBL4059203

O=c1c2ccccc2c(-c2ccc(OCCCC3CCCNC3)cc2)nn1Cc1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.64
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 1/20 0.53
CYP2D6 P10635 1/20 0.53
HTT P42858 1/20 0.53
PSMB5 P28074 4/20 0.51
PSMB1 P20618 2/20 0.51
NPY1R P25929 8/20 0.46
ACP1 P24666 1/20 0.43

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
SCHEMBL4055475 0.87 HRH3 (0.66) HRH3NPY1R
SCHEMBL4057662 0.81 HRH3 (0.61) HRH3ALDH1A1LMNAPSMB5PSMB1
SCHEMBL1374615 0.78 HRH3 (1.00) HRH3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4053680 0.78 HRH3 (0.61) HRH3ALDH1A1LMNAHTTPSMB5
SCHEMBL4065549 0.77 HRH3 (0.49) HRH3NPY1RACP1
SCHEMBL1372685 0.77 HRH3 (1.00) HRH3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1372688 0.77 HRH3 (1.00) HRH3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL28283793 0.76 NPY1R (0.57) NPY1R
SCHEMBL16588429 0.73 HRH3 (0.64) HRH3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4056854 0.71 HTR3A (0.46) HRH3NPY1RACP1

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-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP claimed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO claimed