SCHEMBL7326534

SCHEMBL7326534

c1ccc(C(/N=C2\CCCCN2)C2CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 2/20 0.35
IDO1 P14902 2/20 0.33
DHFR P00374 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSD P07339 1/20 0.32

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
SCHEMBL7326538 1.00 SLC6A3 (0.35) SLC6A3SLC6A2SLC6A4IDO1DHFR
SCHEMBL7333402 0.94 IDO1 (0.39) SLC6A3SLC6A2SLC6A4IDO1DHFR
SCHEMBL7333528 0.94 IDO1 (0.36) SLC6A3SLC6A2SLC6A4IDO1DHFR
SCHEMBL7333523 0.94 IDO1 (0.36) SLC6A3SLC6A2SLC6A4IDO1DHFR
SCHEMBL9719255 0.79 PSEN1 (0.39) SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL7355487 0.79 PSEN1 (0.39) SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL7355484 0.79 PSEN1 (0.39) SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL11774463 0.79 PSEN1 (0.39) SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL7328837 0.78 NPC1 (0.33)
SCHEMBL7325274 0.78 NPC1 (0.33)

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