SCHEMBL9740543

SCHEMBL9740543

CNc1ccc2c(c1)CCN(CC1CCCN(CCc3ccc(OC)c(OC)c3)C1)C(=O)C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HCN4 Q9Y3Q4 2/20 0.47
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
DHCR7 Q9UBM7 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMPD1 P17405 1/20 0.40
POLB P06746 2/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL9739427 0.90 HCN4 (0.52) MAPTHCN4CYP3A4ALOX15DHCR7
Cilobradine SCHEMBL30169956 0.90 HCN4 (0.57) MAPTHCN4CYP3A4ALOX15DHCR7
Cilobradine SCHEMBL1855245 0.90 HCN4 (0.57) MAPTHCN4CYP3A4ALOX15DHCR7
Cilobradine SCHEMBL628133 0.90 HCN4 (0.57) MAPTHCN4CYP3A4ALOX15DHCR7
SCHEMBL9740036 0.89 MAPT (0.49) MAPTHCN4CYP3A4ALOX15DHCR7
Cilobradine SCHEMBL9518220 0.89 CYP3A4 (0.58) MAPTHCN4CYP3A4ALOX15DHCR7
Cilobradine SCHEMBL2459609 0.89 CYP3A4 (0.58) MAPTHCN4CYP3A4ALOX15DHCR7
Cilobradine SCHEMBL29896706 0.89 CYP3A4 (0.58) MAPTHCN4CYP3A4ALOX15DHCR7
Cilobradine SCHEMBL9740702 0.89 HCN4 (0.56) MAPTHCN4CYP3A4ALOX15DHCR7
SCHEMBL9739292 0.87 HCN4 (0.51) MAPTHCN4CYP3A4ALOX15DHCR7

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