SCHEMBL9727055

SCHEMBL9727055

CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)O)C1c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.42
ADORA3 P0DMS8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
HTR1A P08908 2/20 0.39
ADRA2A P08913 2/20 0.39
CHRM1 P11229 2/20 0.39
DRD1 P21728 2/20 0.39
TBXA2R P21731 2/20 0.39
SLC6A2 P23975 2/20 0.39
ADRA1A P35348 2/20 0.39
OPRM1 P35372 2/20 0.39
DRD3 P35462 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39
CACNA1C Q13936 2/20 0.39
KCNK2 O95069 1/20 0.39
ABCB11 O95342 1/20 0.39

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
SCHEMBL10434540 0.93 PTAFR (0.49) PTAFRADORA3ALDH1A1LMNATSHR
SCHEMBL10434582 0.92 PTAFR (0.44) PTAFRADORA3ALDH1A1LMNATSHR
SCHEMBL10434455 0.89 CACNA1C (0.41) PTAFRADORA3ALDH1A1HTR1AADRA2A
SCHEMBL9391706 0.89 PTAFR (0.37) PTAFRALDH1A1
SCHEMBL9391086 0.88 PTAFR (0.38) PTAFRALDH1A1LMNA
Modipafant SCHEMBL93821 0.88 PTAFR (0.43) PTAFRADORA3ALDH1A1HTR1AADRA2A
Modipafant SCHEMBL6995473 0.88 PTAFR (0.43) PTAFRADORA3ALDH1A1HTR1AADRA2A
Modipafant SCHEMBL29961360 0.88 PTAFR (0.43) PTAFRADORA3ALDH1A1HTR1AADRA2A
SCHEMBL9387774 0.86 PTAFR (0.36) PTAFR
SCHEMBL9391705 0.85 PTAFR (0.40) PTAFRADORA3ALDH1A1HTR1AADRA2A

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 9 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-4963560-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1990-10-16 US disclosed
US-4935430-A Platelet activating factor antagonists PFIZER INC. (US) 1990-06-19 US disclosed
EP-0365140-A1 1,4-Dihydropyridine derivatives Pfizer Limited (GB) 1990-04-25 EP disclosed
EP-0310386-A2 4-Aryl-5-carbamoyl-1,4-dihydropyridines Pfizer Limited (GB) 1989-04-05 EP disclosed