1,2,3,4-Tetrahydroisoquinoline

1,2,3,4-Tetrahydroisoquinoline

SCHEMBL7019874

CC1(C)CNCc2cc([N+](=O)[O-])ccc21.c1ccc2c(c1)CCNC2

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 11/20 0.65
ADRA2A P08913 4/20 0.65
CD44 P16070 1/20 0.45
MAOB P27338 1/20 0.45
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1A P08908 1/20 0.38
TDP2 O95551 1/20 0.38
GRIN2B Q13224 1/20 0.37

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
SCHEMBL30561521 0.87 PNMT (0.56) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL444913 0.87 PNMT (0.56) PNMTADRA2AADRA2BADRA2CTDP2
1,2,3,4-Tetrahydroisoquinoline SCHEMBL5485986 0.85 PNMT (0.85) PNMTADRA2ACD44MAOBADRA2B
SCHEMBL1269277 0.80 PNMT (0.87) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL324460 0.80 PNMT (1.00) PNMTADRA2AADRA2BADRA2C
SCHEMBL29382023 0.80 PNMT (1.00) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL29651180 0.79 PNMT (0.97) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL27698594 0.79 PNMT (0.97) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL325622 0.79 PNMT (0.97) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL10004303 0.79 PNMT (0.84) PNMTADRA2AADRA2BADRA2CTDP2

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
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO disclosed