SCHEMBL16649685

SCHEMBL16649685

NCC[C@@H](N)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
PNMT P11086 2/20 0.45
GBA1 P04062 1/20 0.43
HRH1 P35367 1/20 0.43
AOC3 Q16853 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.41
MAOB P27338 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL499546 1.00 TAAR1 (0.47) TAAR1PNMTGBA1HRH1AOC3
SCHEMBL28104541 0.89 TAAR1 (0.42) TAAR1PNMTGBA1HRH1AOC3
SCHEMBL25269085 0.86 PNMT (0.47) PNMTGBA1AOC3OPRM1OPRD1
SCHEMBL382070 0.86 PNMT (0.47) PNMTGBA1AOC3OPRM1OPRD1
SCHEMBL19053623 0.86 PNMT (0.47) TAAR1PNMTGBA1AOC3OPRM1
SCHEMBL9903831 0.86 PNMT (0.47) TAAR1PNMTGBA1AOC3OPRM1
SCHEMBL16692504 0.85 OPRM1 (0.49) PNMTGBA1AOC3OPRM1OPRD1
SCHEMBL5652929 0.85 OPRM1 (0.49) PNMTGBA1AOC3OPRM1OPRD1
SCHEMBL5947869 0.84 HRH1 (0.59) TAAR1PNMTHRH1AOC3IDO1
SCHEMBL3489363 0.82 GBA1 (0.48) PNMTGBA1AOC3OPRM1OPRD1

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-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed