SCHEMBL9557435

SCHEMBL9557435

CC(=Cc1ccccc1Cl)CN1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
SIGMAR1 Q99720 10/20 0.54
CCR3 P51677 1/20 0.48

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
SCHEMBL9564609 0.77 USP2 (0.43) KDM4EALDH1A1KMT2ASIGMAR1
SCHEMBL8976323 0.75 USP2 (0.65) KDM4EALDH1A1KMT2ASIGMAR1
SCHEMBL8976314 0.75 USP2 (0.65) KDM4EALDH1A1KMT2ASIGMAR1
SCHEMBL9557433 0.74 KDM4E (0.52) KDM4EALDH1A1KMT2ASIGMAR1CCR3
SCHEMBL2962629 0.73 SIGMAR1 (1.00) SIGMAR1CCR3
SCHEMBL6550825 0.73 SIGMAR1 (1.00) SIGMAR1CCR3
SCHEMBL9557431 0.73 KDM4E (0.54) KDM4EALDH1A1KMT2ASIGMAR1CCR3
SCHEMBL3593088 0.70 SIGMAR1 (0.89) SIGMAR1CCR3
SCHEMBL11801794 0.70 CCR3 (0.89) KDM4EALDH1A1KMT2ASIGMAR1CCR3
SCHEMBL8976746 0.70 ALDH1A1 (0.47) KDM4EALDH1A1KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5213915-A None JP disclosed
JP-H05213915-A CINNAMYLPIPERAZINE DERIVATIVE, ITS PRODUCTION AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE UBE IND LTD 1993-08-24 JP disclosed
EP-0551617-A2 Cinnamyl piperazine derivatives method of manufacturing the same and agricultural/horticultural fungicides containing cinnamyl piperazine derivatives UBE INDUSTRIES, LTD. (JP) 1993-07-21 EP disclosed