SCHEMBL8950137

SCHEMBL8950137

CCC(N)C(CN)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL8950349 0.80
SCHEMBL21636794 0.73 OPRM1 (0.41) ALDH1A1
SCHEMBL21636789 0.73 OPRM1 (0.41) ALDH1A1
SCHEMBL7555111 0.71
SCHEMBL2197286 0.70
SCHEMBL21658650 0.69
SCHEMBL2170870 0.69 AOC3 (0.30)
SCHEMBL21107281 0.67
SCHEMBL44561 0.67
SCHEMBL4968543 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0595364-B1 Benz[e]indene derivatives and a process for preparing them as well as medicaments containing them and the use of them EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1996-07-24 EP disclosed
US-5439940-A Sedatives, anticonvulsants; analgesics, cardiotonic agents, antiinflammatory agents EGIS GYOGYSZERGYAR RT. (HU) 1995-08-08 US disclosed
EP-0595364-A1 Benz[e]indene derivatives and a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR RT. (HU) 1994-05-04 EP disclosed