SCHEMBL7316258

SCHEMBL7316258

Cc1cn(-c2cc(C=O)c(N)c(C(F)(F)F)c2)c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR3C1 P04150 1/20 0.31
NR3C2 P08235 1/20 0.31

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
SCHEMBL10574492 0.86 HPGD (0.35) HPGDHSD17B10
SCHEMBL10574489 0.86 HPGD (0.35) HPGDHSD17B10
SCHEMBL7321591 0.83 HPGD (0.32) HPGDHSD17B10
SCHEMBL10683313 0.82 NR3C1 (0.31) NR3C1NR3C2
SCHEMBL7315540 0.81 HPGD (0.38) HPGDHSD17B10NR3C1NR3C2
SCHEMBL7317980 0.77 HPGD (0.35) HPGDHSD17B10
SCHEMBL7309063 0.74 HPGD (0.39) HPGDHSD17B10NR3C1NR3C2
SCHEMBL7322042 0.74 CA12 (0.32)
SCHEMBL30242169 0.70 NR2E1 (0.57) HPGDHSD17B10NR3C1NR3C2
SCHEMBL4713291 0.70 NR2E1 (0.42) NR3C1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4900839-A SUBSTITUTED PHENYLPROPENAMIDES PFIZER INC. (US) 1990-02-13 US disclosed
US-4837334-A Precursors to quinolone inotropic agents PFIZER INC. (US) 1989-06-06 US disclosed
US-4728653-A CONGESTIVE HEART FAILURE PFIZER INC. (US) 1988-03-01 US disclosed
EP-0166533-A1 Quinolone inotropic agents Pfizer Limited (GB) 1986-01-02 EP disclosed