SCHEMBL11794869

SCHEMBL11794869

CCOc1c(C(=O)NC(C)N2CCCC2)sc2ccc(Br)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
HSD17B10 Q99714 2/20 0.35

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
Hydrochloric Acid SCHEMBL11883764 0.99 ICAM1 (0.37) ICAM1SELEDRD2DRD1SLC6A2
Bromomethane SCHEMBL11883047 0.99 ICAM1 (0.37) ICAM1SELEDRD2DRD1SLC6A2
Bromomethane SCHEMBL11883325 0.88 NPSR1 (0.38) ICAM1SELEDRD2DRD1SLC6A3
SCHEMBL11876435 0.88 HSD17B10 (0.39) ICAM1SELEDRD2DRD1SLC6A3
Hydrochloric Acid SCHEMBL11877908 0.87 NPSR1 (0.38) ICAM1SELEDRD2DRD1SLC6A3
Bromomethane SCHEMBL11879094 0.85 LMNA (0.44) SLC6A2SLC6A3CHRNB4CHRNA3SMN1; SMN2
SCHEMBL11883619 0.84 LMNA (0.45) SLC6A2SLC6A3CHRNB4CHRNA3SMN1; SMN2
Hydrochloric Acid SCHEMBL11794874 0.84 SMN1; SMN2 (0.44) SLC6A2SLC6A3CHRNB4CHRNA3SMN1; SMN2
SCHEMBL11794862 0.82 GLA (0.53) SMN1; SMN2POLBNPSR1HSD17B10MAPT
SCHEMBL11881855 0.81 RXFP1 (0.39) SMN1; SMN2CA12CA9POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3954748-A ANTIEMETICS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1976-05-04 US claimed
US-3976780-A Methods of protection against emesis in mammals by administration of a 3-alkoxy-thianaphthene-2-carboxamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES L'ILE-DE-FRANCE (FR) 1976-08-24 US disclosed
US-3954748-A ANTIEMETICS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1976-05-04 US disclosed