SCHEMBL9080882

SCHEMBL9080882

COc1ccccc1CCC1=C(C(=O)O)C(C)(c2c(Cl)cccc2Cl)C(C(=O)O)=C(CC(=O)N2CCN(C3CC4CCC(C3)N4C)CC2)N1C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 4/20 0.38
ALOX15 P16050 1/20 0.38
CCR3 P51677 2/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ORAI1 Q96D31 1/20 0.35

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
SCHEMBL6942967 0.91 SIGMAR1 (0.35) SIGMAR1KMT2AMEN1KDM4ECCR3
SCHEMBL6944091 0.91 CCR3 (0.33) SIGMAR1KMT2AMEN1KDM4ECCR3
SCHEMBL9081846 0.90 SIGMAR1 (0.42) SIGMAR1KMT2AMEN1KDM4EALOX15
SCHEMBL6943073 0.90 CCR3 (0.37) KMT2AMEN1KDM4ECCR3ALDH1A1
SCHEMBL9284924 0.90 SIGMAR1 (0.41) SIGMAR1KMT2AMEN1KDM4EALOX15
SCHEMBL6154290 0.87 CCR3 (0.35) KMT2AMEN1KDM4ECCR3ALDH1A1
SCHEMBL6946261 0.87 POLB (0.35) SIGMAR1KMT2AMEN1KDM4ECCR3
SCHEMBL6154565 0.87 CCR3 (0.34) KMT2AMEN1KDM4ECCR3ALDH1A1
SCHEMBL6152354 0.86 CCR3 (0.33) KDM4ECCR3ALDH1A1ORAI1
SCHEMBL6153058 0.86 CCR3 (0.33) KDM4ECCR3ALDH1A1ORAI1

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
WO-1996006083-A1 2-(PIPERAZINYL-1-CARBONYLMETHYL)-1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1996-02-29 WO disclosed