SCHEMBL10601186

SCHEMBL10601186

CCC(N(C)CC(O)c1ccc(OC)c(OC)c1)N1CCc2cc(OC)c(OC)cc2CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCN4 Q9Y3Q4 5/20 0.43
▸ MAPT P10636 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ DRD1 P21728 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD5 P21918 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ GRIN2D O15399 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
SCHEMBL10600124 0.82 GAA (0.36) HCN4MAPTGAASMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL10601260 0.79 CYP3A4 (0.59) HCN4MAPTGAASMN1; SMN2CYP3A4
SCHEMBL10601193 0.78 HCN4 (0.67) HCN4MAPTGAASMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL9666361 0.75 GAA (0.38) HCN4MAPTGAASMN1; SMN2CYP3A4
SCHEMBL9666512 0.75 GAA (0.41) HCN4MAPTGAASMN1; SMN2CYP3A4
SCHEMBL9667529 0.74 GAA (0.41) HCN4MAPTGAASMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL9667804 0.74 GAA (0.41) HCN4MAPTGAASMN1; SMN2CYP3A4
SCHEMBL9667729 0.73 GAA (0.38) HCN4MAPTGAASMN1; SMN2CYP3A4
SCHEMBL10599798 0.73 HCN4 (0.68) HCN4MAPTGAASMN1; SMN2CYP3A4
SCHEMBL9668321 0.72 GAA (0.39) HCN4MAPTGAASMN1; SMN2CYP3A4

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 1 patent. 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
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