SCHEMBL7965769

SCHEMBL7965769

COC(=O)c1c(C(F)(F)F)c(-c2cccnc2)n2c1C=CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.41
HTR2C P28335 11/20 0.37
HTR2B P41595 8/20 0.37
HTR2A P28223 7/20 0.37
CYP1A2 P05177 6/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GMNN O75496 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
SCHEMBL7967982 0.89 CYP11B2 (0.37) CFTRHTR2CHTR2BHTR2ACYP1A2
SCHEMBL8327305 0.88 MKNK1 (0.36) HTR2CHTR2BHTR2ACYP2C9CYP11B2
SCHEMBL7963174 0.87 MKNK1 (0.37) CFTRCYP11B2
SCHEMBL7963752 0.85 SLC2A1 (0.39) CFTRGABRA1GABRG2GABRB3GABRA3
SCHEMBL7964018 0.85 GABRA1 (0.40) CFTRGABRA1GABRG2GABRB3GABRA3
SCHEMBL7963232 0.85 NR4A2 (0.39) CFTRHTR2CHTR2AGABRA1GABRG2
SCHEMBL7964071 0.83 CYP11B2 (0.39) HTR2CHTR2ACYP1A2GABRA1GABRG2
SCHEMBL7952777 0.81 IDO1 (0.35) HTR2CHTR2BHTR2ACYP1A2ALDH1A1
SCHEMBL7952188 0.80 IDO1 (0.35) KDM4E
SCHEMBL8327786 0.77 CYP11B2 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2

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
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US claimed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed