SCHEMBL9208286

SCHEMBL9208286

COc1cc2c(cc1OC)C(=O)N(CC1CCCCCN(CC(O)Cc3cccc4ccccc34)C1)CC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.41
GRM5 P41594 1/20 0.38
PRMT5 O14744 6/20 0.38
WDR77 Q9BQA1 6/20 0.38
ABCB1 P08183 4/20 0.38
HTT P42858 1/20 0.38
ACHE P22303 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 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 SCHEMBL9214235 0.98 ADRA1B (0.41) ADRA1BGRM5PRMT5WDR77ABCB1
Hydrochloric Acid SCHEMBL9207178 0.97 ADRA1B (0.41) ADRA1BGRM5PRMT5WDR77HTT
Hydrochloric Acid SCHEMBL9207068 0.94 ADRA1B (0.42) ADRA1BHTTACHEKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9215384 0.92 PRMT5 (0.40) ADRA1BPRMT5WDR77KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9213070 0.92 ADRA1B (0.41) ADRA1BGRM5PRMT5WDR77ABCB1
SCHEMBL9210433 0.90 PRMT5 (0.41) ADRA1BPRMT5WDR77KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9213413 0.90 ADRA1B (0.41) ADRA1BGRM5PRMT5WDR77ABCB1
SCHEMBL9204857 0.90 ADRA1B (0.40) ADRA1BGRM5PRMT5WDR77ACHE
Hydrochloric Acid SCHEMBL9215535 0.89 ADRA1B (0.40) ADRA1BGRM5PRMT5WDR77ACHE
Hydrochloric Acid SCHEMBL9212507 0.88 GRM5 (0.38) GRM5PRMT5WDR77ABCB1HTT

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
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
EP-0292840-A2 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation Dr. Karl Thomae GmbH (DE) 1988-11-30 EP disclosed