SCHEMBL7587006

SCHEMBL7587006

CN1CCN(c2ccccc2-c2ccc(OC(=O)NCCc3ccc(Cl)cc3)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
SMYD2 Q9NRG4 2/20 0.42
USP28 Q96RU2 1/20 0.42
USP25 Q9UHP3 1/20 0.42
EP300 Q09472 2/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
NPC1 O15118 1/20 0.40
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL7591765 0.91 NPC1 (0.48) NPBWR1MCHR1MEN1KMT2APOLB
SCHEMBL7158123 0.85 AKT3 (0.52) NPBWR1MCHR1MEN1KMT2APOLB
SCHEMBL7585905 0.84 NPSR1 (0.48) NPBWR1MCHR1MEN1KMT2AALDH1A1
SCHEMBL7586281 0.82 HTR1A (0.45) MEN1KMT2ADRD2DRD1MAPK1
SCHEMBL7591802 0.81 HTR1A (0.46) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL7591805 0.81 ALDH1A1 (0.47) NPBWR1MCHR1TAAR1MEN1KMT2A
SCHEMBL7591807 0.80 HTR1A (0.49) MEN1KMT2AMAPTDRD2USP2
SCHEMBL7583215 0.78 NPC1 (0.41) NPBWR1MCHR1MEN1KMT2AALDH1A1
SCHEMBL7257324 0.77 NPBWR1 (0.49) NPBWR1MCHR1MEN1KMT2APOLB
SCHEMBL7582824 0.76 NPC1 (0.45) NPBWR1MCHR1MEN1KMT2APOLB

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-0957099-B1 Heterocyclic carboxamides PFIZER PROD INC (US) 2002-11-20 EP claimed