SCHEMBL7416552

SCHEMBL7416552

NCC(c1cccc(Cl)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
HTR2A P28223 1/20 0.42
PNMT P11086 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ACP3 P15309 1/20 0.40
AOC3 Q16853 1/20 0.40
OPRM1 P35372 5/20 0.39
OPRD1 P41143 5/20 0.39
OPRK1 P41145 5/20 0.39
OPRL1 P41146 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38

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
SCHEMBL4371628 0.87 TAAR1 (0.56) NOS2TAAR1HTR2APNMTCHRNB2
SCHEMBL3415393 0.83 HTR2A (0.64) NOS2TAAR1HTR2APNMTCHRNB2
SCHEMBL7424290 0.81 HTR2A (0.50) NOS2TAAR1HTR2APNMTCHRNB2
Hydrochloric Acid SCHEMBL10707847 0.81 HTR2A (0.61) NOS2TAAR1HTR2APNMTCHRNB2
SCHEMBL3911314 0.77 HTR2A (0.45) NOS2TAAR1HTR2APNMTCHRNB2
SCHEMBL3398977 0.76 HTR2A (0.48) TAAR1HTR2APNMTCHRNB2CHRNA4
SCHEMBL5947869 0.76 HRH1 (0.59) NOS2TAAR1HTR2APNMTACP3
SCHEMBL11080398 0.75 PNMT (0.48) NOS2TAAR1PNMTACP3AOC3
SCHEMBL3905408 0.73 TAAR1 (0.41) NOS2TAAR1HTR2AACP3AOC3
SCHEMBL9903831 0.73 PNMT (0.47) NOS2TAAR1PNMTACP3AOC3

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
WO-1988003147-A1 SELECTED N6-SUBSTITUTED ADENOSINES HAVING SELECTIVE A2 BINDING ACTIVITY WARNER-LAMBERT COMPANY (US) 1988-05-05 WO disclosed