SCHEMBL20103879

SCHEMBL20103879

Cc1ccc(CCN(C)Cc2ccc(Cl)cc2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 1/20 0.48
PYCR1 P32322 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
AOC3 Q16853 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
P2RX7 Q99572 1/20 0.38
CNR2 P34972 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL20103937 0.80 CYP1A2 (0.53) MEN1KMT2AKDM4ETSHRPYCR1
SCHEMBL7158728 0.77 AOC3 (0.62) MEN1KMT2AKDM4ETSHRPYCR1
SCHEMBL24124009 0.73 PYCR1 (0.47) KDM4EPYCR1CYP2D6CYP2C19CYP1A2
SCHEMBL17110143 0.72 HTR2A (0.51) MEN1KMT2AKDM4ECYP2D6CYP2C19
SCHEMBL18532755 0.71 PYCR1 (0.67) MEN1KMT2AKDM4ETSHRPYCR1
SCHEMBL24821340 0.70 CYP1A2 (0.47) MEN1KMT2AKDM4ETSHRPYCR1
SCHEMBL14006726 0.70 PYCR1 (0.56) KDM4ETSHRPYCR1SIGMAR1TMEM97
SCHEMBL7057925 0.70 SIGMAR1 (0.45) MEN1KMT2AKDM4ENPSR1SIGMAR1
SCHEMBL6547406 0.69 TAAR1 (0.48) MEN1KMT2AKDM4EPYCR1CYP1A2
SCHEMBL7057929 0.69 HTR6 (0.44) MEN1KMT2AKDM4ETSHRNPSR1

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
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed