SCHEMBL9740231

SCHEMBL9740231

COc1cc2c(cc1OC)CC(=O)N(CC1CCCN(CCc3cc(OC)c(OC)c(OC)c3)C1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 3/20 0.46
MAPT P10636 1/20 0.46
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
SLC6A4 P31645 1/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ABCB1 P08183 2/20 0.39
ADRA1B P35368 1/20 0.39
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
Hydrochloric Acid SCHEMBL9740866 0.99 CYP3A4 (0.47) HCN4MAPTCYP3A4ALOX15GAA
Cilobradine SCHEMBL1855245 0.91 HCN4 (0.57) HCN4MAPTCYP3A4ALOX15GAA
Cilobradine SCHEMBL628133 0.91 HCN4 (0.57) HCN4MAPTCYP3A4ALOX15GAA
Cilobradine SCHEMBL30169956 0.91 HCN4 (0.57) HCN4MAPTCYP3A4ALOX15GAA
Cilobradine SCHEMBL2459609 0.90 CYP3A4 (0.58) HCN4MAPTCYP3A4ALOX15GAA
Cilobradine SCHEMBL29896706 0.90 CYP3A4 (0.58) HCN4MAPTCYP3A4ALOX15GAA
Cilobradine SCHEMBL9740702 0.90 HCN4 (0.56) HCN4MAPTCYP3A4ALOX15GAA
Cilobradine SCHEMBL9518220 0.90 CYP3A4 (0.58) HCN4MAPTCYP3A4ALOX15GAA
SCHEMBL9740561 0.89 CHRNB2 (0.49) HCN4MAPTCYP3A4ALOX15GAA
SCHEMBL9740542 0.88 GAA (0.42) HCN4MAPTCYP3A4ALOX15GAA

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0224794-B1 CYCLIC AMINE DERIVATIVES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1990-09-12 EP disclosed
EP-0224794-A2 Cyclic amine derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-06-10 EP disclosed