SCHEMBL7324799

SCHEMBL7324799

c1ccc(C(CN=C2CCCCCN2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.35
CTSD P07339 6/20 0.33
SOS1 Q07889 1/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL7447208 0.92 CYP19A1 (0.34) CTSDSMN1; SMN2ALDH1A1SLC6A2SLC6A4
SCHEMBL7326003 0.84 ALDH1A1 (0.35) NISCHSOS1NPC1HPGDRAB9A
SCHEMBL7334912 0.83 CYP19A1 (0.38) CTSDSLC6A2SLC6A4SLC6A3
SCHEMBL7334916 0.83 CYP19A1 (0.38) CTSDSLC6A2SLC6A4SLC6A3
SCHEMBL7327606 0.77 NPC1 (0.33) NISCHNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL7325279 0.77 NPC1 (0.33) NISCHNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL7328837 0.77 NPC1 (0.33) NISCHNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL7325274 0.77 NPC1 (0.33) NISCHNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL7327602 0.77 NPC1 (0.33) NISCHNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL7334086 0.77 CRHBP (0.36) CTSDNPC1HPGDRAB9ASMN1; SMN2

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
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