SCHEMBL9739331

SCHEMBL9739331

c1ccc(CN2CCCCC(CN3CCc4cc5c(cc4C3)OCO5)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.42
ACHE P22303 2/20 0.42
PKM P14618 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
CCR2 P41597 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP2D6 P10635 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
DRD4 P21917 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9210089 0.81 ACHE (0.46) MEN1KMT2AKDM4ELMNAACHE
SCHEMBL9211431 0.81 HRH3 (0.47) MEN1KMT2AKDM4ELMNAHRH3
Hydrochloric Acid SCHEMBL9206800 0.80 DRD2 (0.41) MEN1KMT2AKDM4ELMNAKCNH2
Hydrochloric Acid SCHEMBL10647386 0.79 KDM4E (0.44) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL9215938 0.79 HRH3 (0.46) MEN1KMT2AKDM4ELMNAHRH3
SCHEMBL9214779 0.76 PRMT5 (0.43) SIGMAR1
SCHEMBL9206955 0.76 DRD2 (0.44) MEN1KMT2AKDM4ELMNAKCNH2
Hydrochloric Acid SCHEMBL9204880 0.75 CCR2 (0.38) MEN1KMT2AKDM4ELMNAHRH3
SCHEMBL12401212 0.75 SIGMAR1 (0.51) MEN1KMT2ALMNATSHRACHE
Hydrochloric Acid SCHEMBL9208073 0.74 PRMT5 (0.40) KDM4ELMNATSHRSIGMAR1

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