SCHEMBL11147449

SCHEMBL11147449

CC(O)NC(O)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.52
TAAR1 Q96RJ0 5/20 0.52
SLC18A2 Q05940 1/20 0.52
TRPA1 O75762 2/20 0.52
SLC6A2 P23975 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
CYP2D6 P10635 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL10440174 0.86 EPHX1 (0.50) SIGMAR1TAAR1SLC18A2TRPA1SLC6A2
SCHEMBL23715790 0.83 TAAR1 (0.57) SIGMAR1TAAR1SLC18A2TRPA1SLC6A2
SCHEMBL3403178 0.80 TRPA1 (0.55) SIGMAR1TAAR1SLC18A2TRPA1SLC6A2
SCHEMBL474146 0.80 TAAR1 (0.59) SIGMAR1TAAR1SLC18A2TRPA1SLC6A2
Diphenylmethane SCHEMBL9322451 0.80 CALM1 (0.55) SIGMAR1TAAR1SLC18A2TRPA1SLC6A2
SCHEMBL995916 0.79 MME (0.56) NPC1RAB9A
SCHEMBL18515374 0.79 SIGMAR1 (0.47) SIGMAR1TAAR1TRPA1SLC6A2MAOA
SCHEMBL14519203 0.79 TAAR1 (0.52) SIGMAR1TAAR1SLC18A2TRPA1SLC6A2
SCHEMBL9812081 0.77 SIGMAR1 (0.59) SIGMAR1TAAR1SLC18A2SLC6A2SLC6A3
SCHEMBL3936936 0.77 CYP1A2 (0.46) SIGMAR1TAAR1SLC18A2TRPA1SLC6A2

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-4408072-A Amido methoxyethylamines AMERICAN CYANAMID COMPANY (US) 1983-10-04 US disclosed
US-4314079-A Novel methoxyethylamine AMERICAN CYANAMID COMPANY (US) 1982-02-02 US disclosed
US-4245103-A Processes for the preparation of tetramisole AMERICAN CYANAMID COMPANY (US) 1981-01-13 US disclosed