SCHEMBL5163035

SCHEMBL5163035

Cn1c(CN2CCC(Cc3ccccc3)CC2)ccc1C1CCCC[N]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.50
ALDH1A1 P00352 3/20 0.45
PRMT6 Q96LA8 3/20 0.44
CARM1 Q86X55 2/20 0.44
PRMT3 O60678 1/20 0.44
PRMT1 Q99873 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
ATM Q13315 4/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 2/20 0.43

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
SCHEMBL6271133 0.79 CXCR4 (0.35) ALDH1A1KDM4ESIGMAR1
SCHEMBL4658026 0.79 CCR3 (0.63) CCR3ALDH1A1PRMT6CARM1PRMT3
SCHEMBL3757507 0.76 CCR3 (0.47) CCR3ALDH1A1PRMT6CARM1PRMT3
SCHEMBL4658054 0.74 CCR3 (0.60) CCR3ALDH1A1PRMT6CARM1PRMT3
SCHEMBL5177492 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EMAPT
SCHEMBL4657913 0.71 CCR3 (0.56) CCR3ALDH1A1PRMT6CARM1PRMT3
SCHEMBL3757509 0.70 MEN1 (0.54) CCR3ALDH1A1KDM4EGAAMAPT
SCHEMBL5175965 0.70 ALDH1A1 (0.43) ALDH1A1KDM4EMAPT
SCHEMBL2004615 0.69 CCR3 (1.00) CCR3ALDH1A1PRMT6CARM1PRMT3
SCHEMBL7032518 0.69 CCR3 (0.56) CCR3ALDH1A1PRMT6CARM1PRMT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751101-A1 SUBSTITUTED 5-AMINOMETHYL-1H-PYRROL-2-CARBXYLIC ACID AMIDES Grünenthal GmbH (DE) 2007-02-14 EP claimed
WO-2005113497-A1 SUBSTITUTED 5-AMINOMETHYL-1H-PYRROL-2-CARBXYLIC ACID AMIDES Grünenthal GmbH (DE) 2005-12-01 WO claimed
EP-1751101-A1 SUBSTITUTED 5-AMINOMETHYL-1H-PYRROL-2-CARBXYLIC ACID AMIDES Grünenthal GmbH (DE) 2007-02-14 EP disclosed
WO-2005113497-A1 SUBSTITUTED 5-AMINOMETHYL-1H-PYRROL-2-CARBXYLIC ACID AMIDES Grünenthal GmbH (DE) 2005-12-01 WO disclosed