SCHEMBL8996432

SCHEMBL8996432

CN(C)CCCNc1cc(Cl)ccc1S

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 1/20 0.56
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
FLT3 P36888 3/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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 0.90 NPSR1 (0.55) FERMT2ALDH1A1GAANPSR1TSHR
SCHEMBL3871191 0.81 FERMT2 (0.56) FERMT2ALDH1A1GAANPSR1CYP1A2
SCHEMBL7960481 0.78 FERMT2 (0.56) FERMT2ALDH1A1GAANPSR1CYP1A2
SCHEMBL7289181 0.78 NPSR1 (0.58) FERMT2ALDH1A1GAANPSR1TSHR
SCHEMBL8869324 0.77 ALDH1A1 (0.36) FERMT2ALDH1A1GAANPSR1CYP1A2
SCHEMBL4743774 0.76 ALDH1A1 (0.67) FERMT2ALDH1A1GAANPSR1TSHR
SCHEMBL7973719 0.73 ALDH1A1 (0.85) FERMT2ALDH1A1NPSR1CYP1A2TSHR
SCHEMBL8996413 0.72 NOS2 (0.33) FERMT2ALDH1A1GAANPSR1CYP1A2
SCHEMBL8996438 0.72 SLC6A2 (0.36) FERMT2ALDH1A1GAANPSR1CYP1A2
SCHEMBL30817040 0.72 FERMT2 (1.00) FERMT2CYP1A2HSD17B10

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