SCHEMBL20139950

SCHEMBL20139950

CC1(C)CN(c2ccccc2C#N)CCN1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.40
HTR7 P34969 3/20 0.40
HTR1A P08908 3/20 0.40
LATS1 O95835 1/20 0.39
GRM5 P41594 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
DRD4 P21917 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GRM1 Q13255 1/20 0.37
HDAC1 Q13547 1/20 0.36
CSNK1E P49674 1/20 0.36
AR P10275 2/20 0.36
ADRB1 P08588 1/20 0.36
DRD3 P35462 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36

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
SCHEMBL6023940 0.78 ADRA2C (0.49) DRD2HTR7LATS1KDM4EHDAC1
SCHEMBL17739047 0.75 LATS1 (0.34) LATS1HDAC1ARROCK1CDC42BPB
SCHEMBL233169 0.75 ADRB1 (0.58) DRD2HTR7HTR1AKDM4EADRB1
SCHEMBL22914763 0.75 KDM4E (0.47) DRD2LATS1KDM4EADRB1DRD3
SCHEMBL17738344 0.74 LATS1 (0.33) LATS1HDAC1ARROCK1CDC42BPB
Hydrochloric Acid SCHEMBL20139829 0.74 ADRB1 (0.56) DRD2HTR7HTR1AKDM4EADRB1
SCHEMBL19035611 0.74 HTR3E (0.52) HTR7HTR1ALATS1HDAC1CSNK1E
Hydrochloric Acid SCHEMBL29882725 0.74 ADRB1 (0.56) DRD2HTR7HTR1AKDM4EADRB1
SCHEMBL31432913 0.73 ALDH1A1 (0.44) DRD2HTR1AGRM5OPRM1OPRL1
SCHEMBL31432940 0.72 ALDH1A1 (0.51) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed