SCHEMBL10600124

SCHEMBL10600124

CCC(N(C)CC(O)c1cc(F)c(N)c(Cl)c1)N1CCc2cc(OC)c(OC)cc2CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HCN4 Q9Y3Q4 5/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ S1PR2 O95136 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL10601186 0.82 HCN4 (0.43) GAASMN1; SMN2HCN4MAPTKCNH2
SCHEMBL10600128 0.80 HCN4 (0.51) GAASMN1; SMN2HCN4MAPTKCNH2
SCHEMBL10601007 0.74 HCN4 (0.56) GAASMN1; SMN2HCN4MAPTKCNH2
SCHEMBL10598819 0.71 HCN4 (0.52) GAASMN1; SMN2HCN4MAPTKCNH2
SCHEMBL10601090 0.70 HCN4 (0.58) GAASMN1; SMN2HCN4MAPTKCNH2
SCHEMBL10976169 0.67 GAA (0.57) GAASMN1; SMN2HCN4MAPTKCNH2
Hydrochloric Acid SCHEMBL9666361 0.67 GAA (0.38) GAASMN1; SMN2HCN4MAPTKCNH2
Hydrochloric Acid SCHEMBL10601260 0.67 CYP3A4 (0.59) GAASMN1; SMN2HCN4MAPTKCNH2
SCHEMBL10599844 0.67 MAPT (0.53) GAASMN1; SMN2HCN4MAPTKCNH2
SCHEMBL11096232 0.66 HCN4 (0.67) GAASMN1; SMN2HCN4MAPTKCNH2

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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