SCHEMBL10977976

SCHEMBL10977976

COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1cc(Cl)c(N)c(Cl)c1)C=C2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 7/20 0.54
BRD4 O60885 1/20 0.47
MAPT P10636 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
ABCB1 P08183 1/20 0.39
SMPD1 P17405 4/20 0.37
DRD3 P35462 2/20 0.36
KCNH2 Q12809 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
DRD2 P14416 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL10985132 0.85 HCN4 (0.73) HCN4BRD4MAPTCYP3A4ALOX15
Hydrochloric Acid SCHEMBL10986664 0.85 HCN4 (0.72) HCN4BRD4MAPTCYP3A4ALOX15
SCHEMBL11092035 0.85 HCN4 (0.61) HCN4BRD4MAPTCYP3A4ALOX15
Hydrochloric Acid SCHEMBL10984472 0.84 HCN4 (0.60) HCN4BRD4MAPTCYP3A4ALOX15
SCHEMBL11263213 0.83 HCN4 (0.72) HCN4BRD4MAPTCYP3A4ALOX15
Hydrochloric Acid SCHEMBL11088902 0.81 HCN4 (0.50) HCN4BRD4MAPTCYP3A4ALOX15
SCHEMBL10980734 0.80 HCN4 (0.58) HCN4BRD4MAPTCYP3A4ALOX15
SCHEMBL10599539 0.80 HCN4 (0.65) HCN4BRD4MAPTCYP3A4ALOX15
Hydrochloric Acid SCHEMBL10988254 0.79 HCN4 (0.57) HCN4BRD4MAPTCYP3A4ALOX15
SCHEMBL11091288 0.79 HCN4 (0.55) HCN4BRD4MAPTCYP3A4ALOX15

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-0065229-B1 BENZAZEPINES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS PHARMACEUTICAL PREPARATIONS Dr. Karl Thomae GmbH (DE) 1985-08-07 EP disclosed
US-4490369-A HYPOTENSIVE, BRRADYCARDIAL DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-25 US disclosed
EP-0065229-A1 Benzazepines, process for their preparation and their application as pharmaceutical preparations Dr. Karl Thomae GmbH (DE) 1982-11-24 EP disclosed