SCHEMBL9727195

SCHEMBL9727195

Cc1cn(-c2ccc(C#N)cc2)c(C)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.57
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2A6 P11509 1/20 0.42
NOTUM Q6P988 1/20 0.37
NR3C1 P04150 1/20 0.37
NR3C2 P08235 1/20 0.37
CYP11B2 P19099 4/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 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
SCHEMBL10664194 0.81 GRM5 (0.50) GRM5CYP19A1ALDH1A1CYP2A6CYP11B2
SCHEMBL14302519 0.79 PTGS2 (0.45) GRM5CYP19A1ALDH1A1KDM4E
SCHEMBL9288141 0.79 TUBB4A (0.47) GRM5ALDH1A1NOTUMNR3C1NR3C2
SCHEMBL25317305 0.76 TUBB4A (0.50) GRM5ALDH1A1NR3C1NR3C2GAA
SCHEMBL19365958 0.76 PTGS2 (0.53) GRM5CYP19A1ALDH1A1NR3C1NR3C2
SCHEMBL10901975 0.76 NR3C1 (0.39) GRM5ALDH1A1NR3C1NR3C2GAA
SCHEMBL12247671 0.75 GRM5 (0.49) GRM5ALDH1A1NR3C1NR3C2KDM4E
SCHEMBL4630084 0.74 GRM5 (1.00) GRM5CYP19A1
SCHEMBL3531599 0.71 CRHR1 (0.40) GRM5CYP19A1KDM4E
SCHEMBL4400768 0.71 ALDH1A1 (0.56) GRM5CYP19A1ALDH1A1CYP2A6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149814-A Alkyl 2-benzylidene-4-(2-alkylimidazopyrid-1-yl) benzoylacetate esters as intermediate compounds PFIZER INC (US) 1992-09-22 US disclosed
US-5120747-A Antiallergens, antiinflammatory agent PFIZER INC. (US) 1992-06-09 US disclosed
US-5070205-A Chemical intermediate for anticoagulants PFIZER INC. (US) 1991-12-03 US disclosed
EP-0310386-B1 4-ARYL-5-CARBAMOYL-1,4-DIHYDROPYRIDINES Pfizer Limited (GB) 1991-11-06 EP disclosed
US-5063237-A Antiallergens and antiinflammatory agents PFIZER INC. (US) 1991-11-05 US disclosed
US-4935430-A Platelet activating factor antagonists PFIZER INC. (US) 1990-06-19 US disclosed
EP-0310386-A2 4-Aryl-5-carbamoyl-1,4-dihydropyridines Pfizer Limited (GB) 1989-04-05 EP disclosed