SCHEMBL7412946

SCHEMBL7412946

c1ccc2c3c([nH]c2c1)CCC(N1CCCCC1)C3

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.57
HTR1D P28221 2/20 0.52
RB1 P06400 1/20 0.47
CHRNA7 P36544 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL7407267 0.99 NR2E1 (0.58) NR2E1HTR1DRB1CHRNA7
SCHEMBL25424716 0.89 NR2E1 (0.54) NR2E1RB1CHRNA7MAPTKDM4E
SCHEMBL25423066 0.89 NR2E1 (0.54) NR2E1RB1CHRNA7MAPTKDM4E
SCHEMBL25424582 0.89 NR2E1 (0.54) NR2E1RB1CHRNA7MAPTKDM4E
SCHEMBL7409548 0.88 NR2E1 (0.56) NR2E1CHRNA7KDM4E
SCHEMBL7409746 0.86 NR2E1 (0.55) NR2E1CHRNA7HSD17B10
SCHEMBL7412841 0.86 NR2E1 (0.55) NR2E1CHRNA7HSD17B10
SCHEMBL7412109 0.86 NR2E1 (0.55) NR2E1CHRNA7KDM4E
SCHEMBL7408311 0.84 HTR7 (0.53) NR2E1CHRNA7MAPTALDH1A1
SCHEMBL12244114 0.82 KDM4E (0.48) NR2E1KDM4E

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