SCHEMBL625763

SCHEMBL625763

NCc1cccc(CN)c1Cl

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.75
TAAR1 Q96RJ0 4/20 0.52
DPP4 P27487 3/20 0.52
IDO1 P14902 3/20 0.44
LOXL2 Q9Y4K0 2/20 0.43
PDCD1LG2 Q9BQ51 1/20 0.39
CD274 Q9NZQ7 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
SCHEMBL42705 0.86 PNMT (1.00) PNMTTAAR1DPP4IDO1
SCHEMBL5591177 0.84 PNMT (0.62) PNMTTAAR1DPP4IDO1LOXL2
Hydrochloric Acid SCHEMBL9035217 0.84 PNMT (0.95) PNMTTAAR1DPP4IDO1
SCHEMBL20844632 0.82 PNMT (0.60) PNMTTAAR1DPP4IDO1LOXL2
SCHEMBL4698261 0.82 PNMT (0.60) PNMTTAAR1DPP4IDO1LOXL2
SCHEMBL30412907 0.82 PNMT (0.60) PNMTTAAR1DPP4IDO1LOXL2
SCHEMBL1151364 0.82 PNMT (0.60) PNMTTAAR1DPP4IDO1PDCD1LG2
SCHEMBL210553 0.82 PNMT (0.60) PNMTTAAR1DPP4IDO1LOXL2
SCHEMBL19553768 0.82 PNMT (0.54) PNMTTAAR1DPP4PDCD1LG2CD274
Bromide SCHEMBL15942202 0.80 PNMT (0.58) PNMTTAAR1DPP4IDO1

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
WO-2012020220-A1 COMPOUNDS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed
WO-2012020220-A1 COMPOUNDS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed