SCHEMBL8996438

SCHEMBL8996438

CC(C)(N)CCNc1cc(Cl)ccc1S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
FERMT2 Q96AC1 3/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CCR1 P32246 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
HSD17B2 P37059 1/20 0.31
HTT P42858 1/20 0.31
AR P10275 1/20 0.31
VDR P11473 1/20 0.31

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
SCHEMBL10814027 0.74 NPSR1 (0.55) FERMT2MAPTALDH1A1NPSR1POLB
SCHEMBL8996432 0.72 FERMT2 (0.56) FERMT2CYP1A2ALDH1A1NPSR1POLB
SCHEMBL8996413 0.72 NOS2 (0.33) SLC6A2SLC6A4FERMT2MAPTPKM
SCHEMBL8869324 0.71 ALDH1A1 (0.36) FERMT2MAPTPKMCYP1A2ALDH1A1
SCHEMBL10806223 0.68 GAA (0.44) MAPTALDH1A1POLBGAA
SCHEMBL29176166 0.66 KMT2A (0.44) MAPTCYP1A2ALDH1A1NPSR1POLB
SCHEMBL13285566 0.64 MRGPRX4 (0.49) ALDH1A1
SCHEMBL7289181 0.61 NPSR1 (0.58) FERMT2MAPTALDH1A1NPSR1POLB
SCHEMBL15415606 0.61 TSHR (0.39) ALDH1A1
SCHEMBL20673500 0.61 FERMT2 (0.50) FERMT2MAPTCYP1A2ALDH1A1POLB

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
US-5550143-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 1996-08-27 US disclosed
EP-0572308-A2 Heterocyclic derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-12-01 EP disclosed