SCHEMBL7500822

SCHEMBL7500822

CCCN(CCC)C(=O)C(N)COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.51
TACR1 P25103 2/20 0.43
CA1 P00915 3/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
TP53 P04637 1/20 0.41
ALOX5 P09917 1/20 0.40

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 SCHEMBL9439146 0.90 SLC1A1 (0.47) SLC1A1
SCHEMBL19138469 0.82 SLC1A1 (0.56) SLC1A1TACR1CA1CA2CA7
SCHEMBL19138471 0.82 SLC1A1 (0.56) SLC1A1TACR1CA1CA2CA7
SCHEMBL11303824 0.81 SLC1A1 (0.47) SLC1A1TACR1
SCHEMBL9872582 0.81 ALPI (0.56) SLC1A1TP53
SCHEMBL29229168 0.79 SLC1A1 (0.52) SLC1A1TACR1CA1CA2CA7
SCHEMBL29229170 0.79 SLC1A1 (0.52) SLC1A1TACR1CA1CA2CA7
SCHEMBL20815312 0.79 SLC1A1 (0.42) SLC1A1TACR1ALOX5
SCHEMBL20815311 0.79 SLC1A1 (0.42) SLC1A1TACR1ALOX5
SCHEMBL20815281 0.79 SLC1A1 (0.42) SLC1A1ALOX5

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
EP-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed