SCHEMBL10600128

SCHEMBL10600128

COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CC(O)c1cc(F)c(N)c(Cl)c1)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCN4 Q9Y3Q4 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KCNH2 Q12809 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ GRIN2D O15399 4/20 0.33
▸ GRIN3B O60391 4/20 0.33
▸ GRIN1 Q05586 4/20 0.33
▸ GRIN2A Q12879 4/20 0.33
▸ GRIN2B Q13224 4/20 0.33

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
SCHEMBL10601007 0.95 HCN4 (0.56) HCN4MAPTKCNH2CYP3A4ALOX15
SCHEMBL10598819 0.91 HCN4 (0.52) HCN4MAPTKCNH2CYP3A4ALOX15
SCHEMBL10601090 0.87 HCN4 (0.58) HCN4MAPTKCNH2CYP3A4ALOX15
SCHEMBL11081464 0.86 HCN4 (0.54) HCN4MAPTKCNH2CYP3A4ALOX15
SCHEMBL10598410 0.85 HCN4 (0.55) HCN4MAPTKCNH2CYP3A4ALOX15
SCHEMBL10598451 0.85 HCN4 (0.57) HCN4MAPTKCNH2CYP3A4ALOX15
SCHEMBL10599844 0.83 MAPT (0.53) HCN4MAPTKCNH2CYP3A4ALOX15
SCHEMBL11096232 0.83 HCN4 (0.67) HCN4MAPTKCNH2CYP3A4ALOX15
SCHEMBL10601193 0.82 HCN4 (0.67) HCN4MAPTKCNH2CYP3A4ALOX15
SCHEMBL10600124 0.80 GAA (0.36) HCN4MAPTKCNH2CYP3A4ALOX15

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-0109636-B1 BENZAZEPINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOUNDS Dr. Karl Thomae GmbH (DE) 1989-01-18 — — EP disclosed
US-4490369-A HYPOTENSIVE, BRRADYCARDIAL DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-25 — — US disclosed
EP-0109636-A2 Benzazepine derivatives, process for their preparation and their use as pharmaceutical compounds Dr. Karl Thomae GmbH (DE) 1984-05-30 — — EP disclosed
Send feedback