SCHEMBL7327933

SCHEMBL7327933

c1ccc(C(/N=C2\CCCCCCCCCCCN2)c2cccs2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL7327942 1.00 MAPT (0.33) MAPTOPRM1OPRD1OPRK1OPRL1
SCHEMBL7356723 1.00 MAPT (0.33) MAPTOPRM1OPRD1OPRK1OPRL1
SCHEMBL7328837 0.84 NPC1 (0.33)
SCHEMBL7327602 0.84 NPC1 (0.33)
SCHEMBL7325279 0.84 NPC1 (0.33)
SCHEMBL7327606 0.84 NPC1 (0.33)
SCHEMBL7325274 0.84 NPC1 (0.33)
SCHEMBL7327733 0.77 SLC6A2 (0.36) MAPTOPRM1TSHR
Hydrochloric Acid SCHEMBL11872449 0.77 CHRNB2 (0.33) MAPTOPRK1TSHRTP53
SCHEMBL7336042 0.77 HTR2A (0.36) MAPTOPRM1OPRD1OPRK1OPRL1

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 9 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
EP-0370320-A1 Lactamimides in the treatment of drug-resistant protozoal infections MERRELL DOW PHARMACEUTICALS INC. (US) 1990-05-30 EP disclosed
EP-0348891-A2 Lactamimides as calcium antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1990-01-03 EP disclosed
US-4061746-A Lactamimide inhibitors of gastrointestinal hypersecretion RICHARDSON-MERRELL INC. (US) 1977-12-06 US disclosed