SCHEMBL9740380

SCHEMBL9740380

COc1ccc(CCN2CCC[C@H](CN3C=Cc4cc(OC)c(OC)cc4CC3=O)C2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 7/20 0.54
BRD4 O60885 1/20 0.44
GAA P10253 1/20 0.41
SMPD1 P17405 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL9739668 1.00 HCN4 (0.54) HCN4BRD4GAASMPD1MEN1
Hydrochloric Acid SCHEMBL10766227 0.99 HCN4 (0.53) HCN4BRD4GAASMPD1MEN1
SCHEMBL9739670 0.95 HCN4 (0.55) HCN4BRD4MAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL9738862 0.90 HCN4 (0.44) HCN4GAAMEN1KMT2AMAPT
SCHEMBL9738933 0.84 BCHE (0.45) BRD4SIGMAR1
SCHEMBL9739274 0.82 CHRNB4 (0.44) HCN4BRD4
SCHEMBL9738909 0.81 BCHE (0.44) BRD4SIGMAR1
SCHEMBL9213553 0.81 BRD4 (0.40) HCN4BRD4MEN1KMT2A
SCHEMBL9212352 0.81 ACHE (0.43) HCN4BRD4MEN1KMT2AALDH1A1
Cilobradine SCHEMBL30169956 0.81 HCN4 (0.57) HCN4GAASMPD1MEN1KMT2A

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed