SCHEMBL11565773

SCHEMBL11565773

N#CCC(Cl)Cc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.51
CTSL P07711 10/20 0.43
CTSV O60911 9/20 0.43
CTSS P25774 9/20 0.43
CTSK P43235 7/20 0.43
CTSB P07858 6/20 0.43
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 2/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41

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
SCHEMBL8499045 0.79 PNMT (0.55) PNMTCTSLCTSVCTSSCTSK
SCHEMBL11565787 0.77 PNMT (0.49) PNMTTAAR1IDO1
SCHEMBL1442961 0.77 PNMT (0.56) PNMTCTSLCTSVCTSSCTSK
SCHEMBL6679797 0.77 PNMT (0.61) PNMTTAAR1CHRM2CYP3A4IDO1
SCHEMBL4657794 0.75 TSHR (0.54) KMT2A
SCHEMBL11468004 0.74 PNMT (0.53) PNMTTAAR1CHRM2CYP3A4IDO1
SCHEMBL6685017 0.74 PNMT (0.58) PNMTTAAR1CHRM2CYP3A4IDO1
SCHEMBL13302617 0.74 PNMT (0.62) PNMTTAAR1CHRM2CYP3A4IDO1
SCHEMBL28455100 0.74 PNMT (0.62) PNMTCTSLCTSVCTSSCTSK
SCHEMBL29700969 0.74 PNMT (0.54) PNMTKMT2AATMTAAR1CHRM2

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
US-4145362-A DIAZOTIZATION OF ARYLAMINE IN PRESENCE OF ALKANOIC ACID, COPPER HALIDE CATALYST S.A. P R B EN NEERLANDAIS PRB N.V. (BE) 1979-03-20 US disclosed