SCHEMBL10840611

SCHEMBL10840611

CC1(C)CCc2cc(C#N)ccc2N1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.47
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
PNMT P11086 1/20 0.42
PGR P06401 3/20 0.42
KDM1A O60341 2/20 0.41
NR3C2 P08235 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MAPK10 P53779 2/20 0.37
RIPK1 Q13546 2/20 0.37

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
SCHEMBL23124039 0.87 AR (0.44) ARDRD2DRD3PNMTPGR
SCHEMBL29789835 0.87 AR (0.44) ARDRD2DRD3PNMTPGR
SCHEMBL5651931 0.76 AR (0.46) ARPGRNR3C2
SCHEMBL10841146 0.75 AR (0.47) ARPGRNR3C2
SCHEMBL5328438 0.75 AR (0.47) ARPNMTPGRKDM1ANR3C2
SCHEMBL10840954 0.75 AR (0.48) ARPGRNR3C2
SCHEMBL6986056 0.72 PDE3B (0.46) AR
SCHEMBL288540 0.72 DRD2 (0.55) DRD2DRD3PNMTPSEN1PSEN2
SCHEMBL10840081 0.71 MAPT (0.52) ARPNMTPGRNR3C2
SCHEMBL15964812 0.71 MAPT (0.53) DRD2DRD3PNMTPGRKDM1A

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-0198264-A2 Carbamoyl imidazoles NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-10-22 EP disclosed