SCHEMBL9738736

SCHEMBL9738736

COc1cc2c(cc1OC)CN(CC1CCCCN(CC(O)Cc3c(OC)ccc4ccccc34)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM2B Q8NHM5 3/20 0.39
OPRK1 P41145 1/20 0.38
MC4R P32245 2/20 0.38
PRMT5 O14744 3/20 0.37
WDR77 Q9BQA1 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
DRD4 P21917 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
SCHEMBL9215547 0.80 PRMT5 (0.44) KDM2BPRMT5MAPT
Hydrochloric Acid SCHEMBL9213421 0.80 MEN1 (0.37) HTTMEN1KMT2AKDM2BPRMT5
SCHEMBL9213097 0.79 PDE4B (0.43) HTTMEN1KMT2APRMT5WDR77
Hydrochloric Acid SCHEMBL9206777 0.77 HTT (0.52) HTTMAPTTSHR
Hydrochloric Acid SCHEMBL9206175 0.76 PDE4B (0.40) MEN1KMT2APRMT5MAPTTSHR
Hydrochloric Acid SCHEMBL9213818 0.74 HTT (0.55) HTTMAPTALDH1A1TSHRHSD17B10
SCHEMBL9208157 0.73 MEN1 (0.37) HTTMEN1KMT2APRMT5WDR77
SCHEMBL9208286 0.73 ADRA1B (0.41) HTTPRMT5WDR77ALDH1A1LMNA
Hydrochloric Acid SCHEMBL9214235 0.73 ADRA1B (0.41) HTTPRMT5WDR77ALDH1A1LMNA
Hydrochloric Acid SCHEMBL9207178 0.72 ADRA1B (0.41) HTTMEN1KMT2APRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed