SCHEMBL9215882

SCHEMBL9215882

O=C1Cc2cc3c(cc2CCN1CC1CCCN(CCc2csc4cc(Br)ccc24)C1)OCO3

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.32
HTR1A P08908 1/20 0.32
UTS2R Q9UKP6 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9207476 0.91 HTR1A (0.33) HTR1AUTS2RMEN1KMT2A
SCHEMBL9206684 0.90 HTR1A (0.41) LTA4HHTR1AUTS2RKDM4EMAPK1
SCHEMBL9216452 0.89 MEN1 (0.36) HTR1AMEN1KMT2A
SCHEMBL9217178 0.89 HCN4 (0.39) HTR1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL9215793 0.88 HTR1A (0.39) LTA4HHTR1AUTS2RKDM4EMAPK1
SCHEMBL9207407 0.85 HTR1A (0.37) HTR1A
SCHEMBL9216989 0.85 HTR1A (0.36) LTA4HHTR1AUTS2RKDM4EALDH1A1
SCHEMBL9216877 0.84 ACHE (0.35) HTR1AMEN1KMT2A
SCHEMBL9206867 0.84 MTNR1A (0.39) HTR1AMEN1KMT2A
SCHEMBL9213910 0.84 HCN4 (0.40) HTR1AKDM4EALDH1A1MEN1KMT2A

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