SCHEMBL9211699

SCHEMBL9211699

COc1ccc2cc(CCN3CCCCCC(CN4CCc5cc(C)c(C)cc5C4)C3)ccc2c1C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.44
DHCR7 Q9UBM7 3/20 0.43
HRH3 Q9Y5N1 5/20 0.42
ABCB1 P08183 6/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37

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 SCHEMBL9214060 0.94 DHCR7 (0.48) KDM2BDHCR7HRH3ABCB1MEN1
SCHEMBL9211782 0.89 DHCR7 (0.51) KDM2BDHCR7ABCB1KDM4ETDP1
SCHEMBL9205910 0.85 DHCR7 (0.57) DHCR7ABCB1MEN1KMT2AKDM4E
SCHEMBL9207330 0.85 KDM2B (0.41) KDM2BABCB1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL9208175 0.84 DHCR7 (0.56) DHCR7ABCB1MEN1KMT2AKDM4E
SCHEMBL9207036 0.84 HRH3 (0.50) HRH3ABCB1MEN1KMT2A
SCHEMBL9215721 0.84 KDM2B (0.41) KDM2BABCB1MEN1KMT2AGAA
SCHEMBL9214620 0.84 ABCB1 (0.52) DHCR7HRH3ABCB1
SCHEMBL9213303 0.84 MEN1 (0.49) KDM2BDHCR7HRH3ABCB1MEN1
SCHEMBL9213630 0.83 ABCB1 (0.53) DHCR7HRH3ABCB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292840-B1 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation THOMAE GMBH DR K (DE) 1995-08-09 EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed