SCHEMBL8487145

SCHEMBL8487145

CC(=O)Nc1ccc2c(c1)CN(C(Cc1ccc(C#N)cc1)c1cnc[nH]1)CC2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 10/20 0.42
FPR1 P21462 9/20 0.42
PRKAA2 P54646 1/20 0.40
DRD2 P14416 1/20 0.39
ROCK2 O75116 3/20 0.38
CYP17A1 P05093 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 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
SCHEMBL7738285 0.83 HRH3 (0.37) FPR2FPR1DRD2
SCHEMBL7744111 0.83 HRH3 (0.37) FPR2FPR1DRD2
SCHEMBL7746101 0.81 CYP19A1 (0.43) FPR2FPR1DRD2
Trifluoroacetic Acid SCHEMBL7743550 0.81 FPR1 (0.37) FPR2FPR1PRKAA2
SCHEMBL7746078 0.81 KCNJ1 (0.39) FPR2FPR1ALDH1A1
SCHEMBL7738184 0.80 CYP19A1 (0.41) FPR2FPR1
SCHEMBL7743502 0.80 MAPT (0.43) DRD2KDM4EALDH1A1
SCHEMBL7744150 0.79 HRH3 (0.37) DRD2
SCHEMBL7744222 0.79 CYP11B1 (0.37)
SCHEMBL7190259 0.78 FNTA (0.42) FPR2FPR1

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
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed