SCHEMBL9215835

SCHEMBL9215835

COc1cc2c(cc1OC)C(=O)N(CC1CCCN(CCc3ccc(Cl)c(Cl)c3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.46
GAA P10253 1/20 0.46
TMEM97 Q5BJF2 3/20 0.44
KCNH2 Q12809 2/20 0.44
CCR2 P41597 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL9213519 0.89 GAA (0.40) GAAMEN1KMT2A
SCHEMBL9212603 0.88 GAA (0.50) GAAMEN1KMT2A
SCHEMBL9216056 0.88 BCHE (0.44) GAAMEN1KMT2A
SCHEMBL9208083 0.88 ABCB1 (0.44) GAAMEN1KMT2A
SCHEMBL9212017 0.88 GAA (0.46) GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL9207786 0.88 DHCR7 (0.43) SIGMAR1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL9212998 0.87 ABCB1 (0.44) GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL9214061 0.86 MEN1 (0.46) GAAMEN1KMT2A
SCHEMBL9211577 0.86 BCHE (0.46) MEN1KMT2A
SCHEMBL9207276 0.86 ABCB1 (0.47) SIGMAR1GAATMEM97MEN1KMT2A

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