SCHEMBL7396263

SCHEMBL7396263

Nc1cc(Cl)ccc1-c1nc(C2CC2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
AOC3 Q16853 2/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
POLB P06746 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CA12 O43570 1/20 0.40
USP7 Q93009 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HTR1A P08908 1/20 0.38
HTR2C P28335 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
SCHEMBL7393716 0.79 POLB (0.53) NPC1RAB9ASMN1; SMN2CHRM1CHRM3
SCHEMBL7395446 0.78 CA1 (0.45) NPC1RAB9AAOC3CA1CA2
SCHEMBL21889030 0.74 AOC3 (0.54) NPC1RAB9ASMN1; SMN2CHRM1CHRM3
SCHEMBL7398146 0.72 CHRM1 (0.47) NPC1RAB9ASMN1; SMN2CHRM1CHRM3
Hydrochloric Acid SCHEMBL23148960 0.72 CHRM1 (0.47) NPC1RAB9ASMN1; SMN2CHRM1CHRM3
Hydrochloric Acid SCHEMBL29616565 0.72 CHRM1 (0.47) NPC1RAB9ASMN1; SMN2CHRM1CHRM3
SCHEMBL21914546 0.71 AOC3 (0.59) NPC1RAB9ASMN1; SMN2CHRM1CHRM3
SCHEMBL16864754 0.71 FABP4 (0.49) NPC1RAB9ASMN1; SMN2CHRM1CHRM3
SCHEMBL15614828 0.71 FABP4 (0.49) NPC1RAB9ASMN1; SMN2AOC3CA1
SCHEMBL7397407 0.70 CASP3 (0.46) NPC1RAB9ASMN1; SMN2CA1CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5330990-A Antagonists of 5-HT and 5-HT3 receptors, psychological disorders, antinausea NOVO NORDISK A/S (DK) 1994-07-19 US disclosed
EP-0419397-B1 Substituted urea compounds and their preparation and use NOVO NORDISK AS (DK) 1994-06-08 EP disclosed
EP-0491770-A1 SUBSTITUTED UREA COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-01 EP disclosed
EP-0419397-A1 Substituted urea compounds and their preparation and use NOVO NORDISK A/S (DK) 1991-03-27 EP disclosed
WO-1991003475-A1 SUBSTITUTED UREA COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-03-21 WO disclosed