SCHEMBL30596349

SCHEMBL30596349

OC1(c2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)C1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
KMT2A Q03164 1/20 0.70
CCR3 P51677 1/20 0.60
OPRL1 P41146 6/20 0.58
POLB P06746 1/20 0.57
DRD4 P21917 4/20 0.55
DRD3 P35462 4/20 0.55
DRD2 P14416 3/20 0.55
TACR1 P25103 1/20 0.54
SIGMAR1 Q99720 1/20 0.52
OPRM1 P35372 2/20 0.50

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
SCHEMBL4680438 1.00 KDM4E (0.70) KDM4EKMT2ACCR3OPRL1POLB
SCHEMBL8969668 0.92 KDM4E (0.60) KDM4EKMT2ACCR3OPRL1POLB
SCHEMBL13543993 0.92 CCR3 (0.72) KDM4EKMT2ACCR3OPRL1POLB
Hydrochloric Acid SCHEMBL8563831 0.91 KDM4E (0.62) KDM4EKMT2ACCR3OPRL1POLB
SCHEMBL667088 0.85 ALDH1A1 (0.57) KDM4EKMT2ACCR3OPRL1DRD4
SCHEMBL29087358 0.85 CCR3 (0.83) KDM4EKMT2ACCR3OPRL1POLB
SCHEMBL10226080 0.84 OPRL1 (0.81) KDM4EKMT2ACCR3OPRL1POLB
SCHEMBL1820347 0.83 KDM4E (0.69) KDM4EKMT2ACCR3OPRL1POLB
SCHEMBL8298555 0.82 TACR1 (0.75) KDM4EKMT2ACCR3OPRL1POLB
SCHEMBL3115662 0.82 DRD2 (0.49) KDM4EKMT2AOPRL1DRD4DRD3

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
CN-116806217-A Substituted cyclic modulators of protein phosphatase 2A (PP 2A) and methods of use thereof 拉帕塔疗法公司 2023-09-26 CN disclosed