SCHEMBL7412841

SCHEMBL7412841

c1ccc2c3c([nH]c2c1)CCC(N1CCSCC1)C3

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.55
CHRNA7 P36544 1/20 0.45
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42

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 0.88 NR2E1 (0.58) NR2E1CHRNA7ADRA1DADRA1AADRA1B
SCHEMBL7412946 0.86 NR2E1 (0.57) NR2E1CHRNA7HSD17B10
SCHEMBL7409548 0.85 NR2E1 (0.56) NR2E1CHRNA7HTR2AHTR2C
SCHEMBL7409746 0.84 NR2E1 (0.55) NR2E1CHRNA7ADRA1DADRA1AADRA1B
SCHEMBL7412109 0.84 NR2E1 (0.55) NR2E1CHRNA7ADRA1DADRA1AADRA1B
SCHEMBL7408311 0.82 HTR7 (0.53) NR2E1CHRNA7DRD2DRD1DRD5
SCHEMBL25424716 0.81 NR2E1 (0.54) NR2E1CHRNA7ADRA1DADRA1AADRA1B
SCHEMBL25423066 0.81 NR2E1 (0.54) NR2E1CHRNA7ADRA1DADRA1AADRA1B
SCHEMBL25424582 0.81 NR2E1 (0.54) NR2E1CHRNA7ADRA1DADRA1AADRA1B
SCHEMBL7408196 0.74 RB1 (0.50) NR2E1CHRNA7HSD17B10

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