SCHEMBL7333677

SCHEMBL7333677

COc1ccc(N=C2CCCCCCCN2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NOS3 P29474 1/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ TTR P02766 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35

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
SCHEMBL16892098 0.83 APOBEC3A (0.42) ALDH1A1MAPTMEN1KMT2APARP1
SCHEMBL16886019 0.81 NISCH (0.38) ALDH1A1GAAMAPTHTR3EHTR3B
SCHEMBL7332315 0.81 NISCH (0.38) ALDH1A1GAAMAPTHTR3EHTR3B
SCHEMBL7332320 0.81 NISCH (0.38) ALDH1A1GAAMAPTHTR3EHTR3B
SCHEMBL7333678 0.78 MIF (0.41) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL18820266 0.78 GAA (0.41) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL18820390 0.75 GAA (0.42) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL8743958 0.75 ALDH1A1 (0.49) ALDH1A1GAAMAPTNOS3HTR3E
SCHEMBL7621473 0.74 C3AR1 (0.42) HSD17B10
SCHEMBL18820353 0.74 NISCH (0.41) HSD17B10ALDH1A1CA1CA2

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
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