SCHEMBL7328842

SCHEMBL7328842

CC(/N=C1/CCCCCCCCCCN1)c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.42
HPGD P15428 1/20 0.38
S1PR1 P21453 3/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SLC2A1 P11166 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL7328848 1.00 FFAR1 (0.42) FFAR1HPGDS1PR1MAOAMAOB
Hydrochloric Acid SCHEMBL11740533 0.96 FFAR1 (0.40) FFAR1HPGDS1PR1MAOAMAOB
Hydrochloric Acid SCHEMBL11745241 0.89 PPARG (0.36) LTA4H
SCHEMBL11738772 0.89 PSMB1 (0.36) LTA4H
SCHEMBL11738764 0.89 PSMB1 (0.36) LTA4H
SCHEMBL11775575 0.86 CTSD (0.36) MAOAMAOB
Hydrochloric Acid SCHEMBL11776520 0.85 MAOA (0.36) MAOAMAOB
Hydrochloric Acid SCHEMBL11737896 0.85 MAOA (0.36) MAOAMAOB
Hydrochloric Acid SCHEMBL11741353 0.84 SLC2A1 (0.41) HPGDSLC2A1LTA4H
Hydrochloric Acid SCHEMBL11741356 0.84 SLC2A1 (0.41) HPGDSLC2A1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5198433-A Hypotensive MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-30 US disclosed
US-5158945-A Cardiotonic agents, vasodilators, hypotensive agents, anticonvulsants, antiisichemic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1992-10-27 US disclosed
EP-0370320-B1 LACTAMIMIDES IN THE TREATMENT OF DRUG-RESISTANT PROTOZOAL INFECTIONS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-30 EP disclosed
US-5128337-A Hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-07 US disclosed
US-5082837-A Hypotensive MERRELL DOW PHARMACEUTICALS (US) 1992-01-21 US disclosed
US-5010072-A Hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-23 US disclosed
US-4061746-A Lactamimide inhibitors of gastrointestinal hypersecretion RICHARDSON-MERRELL INC. (US) 1977-12-06 US disclosed
US-4055561-A ANTICOAGULANT RICHARDSON-MERRELL INC. (US) 1977-10-25 US disclosed