SCHEMBL9625311

SCHEMBL9625311

NCCc1ccccc1CCCCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.56
HTR2A P28223 4/20 0.52
HRH1 P35367 2/20 0.42
CYP2A6 P11509 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MAOB P27338 1/20 0.39
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
CTSK P43235 1/20 0.38
HTR6 P50406 1/20 0.38
CYP2A13 Q16696 1/20 0.38
PNMT P11086 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
SCHEMBL8126752 0.86 PNMT (0.48) TAAR1HTR2ASMN1; SMN2LOXL2PNMT
SCHEMBL224549 0.83 TAAR1 (0.70) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2
SCHEMBL10505751 0.81 ALDH1A1 (0.39) TAAR1HTR2AMPOPNMT
SCHEMBL3678681 0.78 TAAR1 (0.50) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2
SCHEMBL29943451 0.78 TAAR1 (0.50) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2
SCHEMBL7476524 0.77 SIGMAR1 (0.42) TAAR1SMN1; SMN2CYP1A2CYP3A4PNMT
SCHEMBL31069232 0.77 TAAR1 (0.58) TAAR1MAOBMPOCYP1A2CYP3A4
SCHEMBL3067170 0.77 TAAR1 (0.56) TAAR1HTR2AHRH1CYP3A4CYP2D6
SCHEMBL3520428 0.77 TAAR1 (0.58) TAAR1MAOBMPOCYP1A2CYP3A4
SCHEMBL6314758 0.75 HTR2A (0.74) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2

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-0329010-B1 NOREMOPAMIL, ITS PREPARATION AND ITS USE BASF Aktiengesellschaft (DE) 1992-05-06 EP disclosed
EP-0329010-A1 Noremopamil, its preparation and its use BASF Aktiengesellschaft (DE) 1989-08-23 EP disclosed