SCHEMBL7411272

SCHEMBL7411272

c1ccc2c3c([nH]c2c1)CCC(NCCN1CCCCC1)C3

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RB1 P06400 4/20 0.52
NR2E1 Q9Y466 1/20 0.48
SIGMAR1 Q99720 2/20 0.46
VCP P55072 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43

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 0.99 RB1 (0.53) RB1NR2E1SIGMAR1VCPBCHE
SCHEMBL7405425 0.90 RB1 (0.51) RB1NR2E1VCP
SCHEMBL7409212 0.90 RB1 (0.51) RB1NR2E1VCPKDM4E
SCHEMBL7409258 0.89 RB1 (0.50) RB1NR2E1VCP
SCHEMBL7408196 0.89 RB1 (0.50) RB1NR2E1SIGMAR1VCPKDM4E
SCHEMBL7409934 0.87 RB1 (0.51) RB1NR2E1VCPMAPT
SCHEMBL7412987 0.84 RB1 (0.47) RB1NR2E1VCP
SCHEMBL7410027 0.82 VCP (0.50) RB1NR2E1VCPMAPT
SCHEMBL7408834 0.81 RB1 (0.55) RB1NR2E1
SCHEMBL7410031 0.80 RB1 (0.46) RB1NR2E1VCP

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