SCHEMBL7408196

SCHEMBL7408196

c1ccc2c3c([nH]c2c1)CCC(NCCN1CCSCC1)C3

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RB1 P06400 5/20 0.50
NR2E1 Q9Y466 1/20 0.46
VCP P55072 3/20 0.43
CHRNA7 P36544 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL7417660 0.90 RB1 (0.53) RB1NR2E1VCPCHRNA7SIGMAR1
SCHEMBL7411272 0.89 RB1 (0.52) RB1NR2E1VCPKDM4EHSD17B10
SCHEMBL7405425 0.88 RB1 (0.51) RB1NR2E1VCPCHRNA7
SCHEMBL7409212 0.88 RB1 (0.51) RB1NR2E1VCPCHRNA7KDM4E
SCHEMBL7409258 0.87 RB1 (0.50) RB1NR2E1VCPCHRNA7
SCHEMBL7409934 0.85 RB1 (0.51) RB1NR2E1VCP
SCHEMBL7412987 0.82 RB1 (0.47) RB1NR2E1VCPCHRNA7
SCHEMBL7410027 0.80 VCP (0.50) RB1NR2E1VCP
SCHEMBL7410031 0.80 RB1 (0.46) RB1NR2E1VCP
SCHEMBL7408834 0.79 RB1 (0.55) RB1NR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed