SCHEMBL7756353

SCHEMBL7756353

CCc1ccc2occ(CC#N)c2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.49
MAPT P10636 8/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MTNR1A P48039 1/20 0.42
THRB P10828 2/20 0.41
KDM1A O60341 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8869337 0.88 MTNR1A (0.55) TP53MAPTSMN1; SMN2MTNR1ATHRB
SCHEMBL8869526 0.88 AIMP2 (0.39) TP53MAPTSMN1; SMN2KDM1APOLB
SCHEMBL8867913 0.85 MTNR1A (0.47) TP53MAPTSMN1; SMN2MTNR1ATSHR
SCHEMBL10222548 0.83 TP53 (0.59) TP53MAPTSMN1; SMN2MTNR1ATHRB
SCHEMBL8868012 0.83 MTNR1A (0.45) TP53MTNR1ATSHRHSD17B10
SCHEMBL7137898 0.81 THRB (0.46) TP53MAPTSMN1; SMN2THRBKDM1A
SCHEMBL8867009 0.80 HTR1A (0.37) TP53MAPTSMN1; SMN2MTNR1AKDM1A
SCHEMBL6613340 0.78 PTPN1 (0.43) KDM1A
SCHEMBL8950321 0.78 CSNK2A1 (0.50) MAPTSMN1; SMN2THRBPOLBGAA
SCHEMBL8168864 0.78 ESR2 (0.47) MAPTTSHRNPSR1

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
EP-0721947-B1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-03-14 EP disclosed
CN-1061653-C Novel alkylated (hetero) cyclic compounds, process for their prepn. and pharmaceutical compositions contg. same ADIR (FR) 2001-02-07 CN disclosed
US-5703121-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1997-12-30 US disclosed
CN-1134938-A Novel alkylated (hetero) cyclic compounds, process for their prepn. and pharmaceutical compositions contg. same ADIR (FR) 1996-11-06 CN disclosed
EP-0721947-A1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-07-17 EP disclosed