SCHEMBL11096818

SCHEMBL11096818

COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1ccccc1NC(C)=O)C=C2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 6/20 0.47
BRD4 O60885 1/20 0.42
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
SMPD1 P17405 3/20 0.38
MDM2 Q00987 1/20 0.36
ABCB1 P08183 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL11091288 0.85 HCN4 (0.55) HCN4BRD4MAPTCYP3A4ALOX15
Hydrochloric Acid SCHEMBL10984135 0.81 CYP3A4 (0.64) HCN4MAPTCYP3A4ALOX15SMPD1
SCHEMBL10667192 0.79 HCN4 (0.48) HCN4BRD4MAPTCYP3A4ALOX15
SCHEMBL10894643 0.79 HCN4 (0.48) HCN4BRD4MAPTCYP3A4SMPD1
SCHEMBL10669932 0.79 HCN4 (0.50) HCN4BRD4MAPTCYP3A4ALOX15
SCHEMBL10985132 0.79 HCN4 (0.73) HCN4BRD4MAPTCYP3A4ALOX15
Hydrochloric Acid SCHEMBL10667216 0.78 HCN4 (0.49) HCN4BRD4MAPTCYP3A4ALOX15
SCHEMBL10671624 0.78 HCN4 (0.50) HCN4BRD4MAPTCYP3A4ALOX15
SCHEMBL11092035 0.78 HCN4 (0.61) HCN4BRD4MAPTCYP3A4ALOX15
Hydrochloric Acid SCHEMBL10986664 0.78 HCN4 (0.72) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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