SCHEMBL9587387

SCHEMBL9587387

CC1=Nc2cccnc2[N]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSP90AA1 P07900 1/20 0.40
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CCR1 P32246 2/20 0.33
CCR8 P51685 2/20 0.33
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33
CYP2A6 P11509 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR5 P51681 1/20 0.32
BRD4 O60885 1/20 0.32
PRMT5 O14744 1/20 0.32

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
SCHEMBL9524431 0.83 NPC1 (0.40) NPC1L3MBTL1HSP90AA1NOS3NOS1
SCHEMBL4801381 0.74 L3MBTL1 (0.31) L3MBTL1
SCHEMBL8829204 0.74 CYP1A2 (0.30)
SCHEMBL8829283 0.71 GRM5 (0.32) L3MBTL1KDM4EALDH1A1GAA
SCHEMBL2094224 0.69 MAPT (0.33) L3MBTL1MAPTKDM4E
SCHEMBL211308 0.69 KDM4E (0.38) NPC1MAPTKDM4ECYP2A6RAB9A
SCHEMBL8829129 0.69 L3MBTL1 (0.36) NPC1L3MBTL1MAPTKDM4EHTT
SCHEMBL8829270 0.66 GAA (0.31) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL3829173 0.65 L3MBTL1 (0.31) L3MBTL1
SCHEMBL25431743 0.64 ALDH1A1 (0.36) L3MBTL1HSP90AA1MAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5248681-A DIHYDROPYRIDINE ANTIALLERGY AGENTS PFIZER INC. (US) 1993-09-28 US claimed
EP-0467895-A1 DIHYDROPYRIDINE ANTIALLERGY AGENTS Pfizer Limited (GB) 1992-01-29 EP claimed
EP-0310386-B1 4-ARYL-5-CARBAMOYL-1,4-DIHYDROPYRIDINES Pfizer Limited (GB) 1991-11-06 EP claimed
WO-1990012015-A1 DIHYDROPYRIDINE ANTIALLERGY AGENTS PFIZER LIMITED (GB) 1990-10-18 WO claimed
EP-0365140-A1 1,4-Dihydropyridine derivatives Pfizer Limited (GB) 1990-04-25 EP claimed
EP-0310386-A2 4-Aryl-5-carbamoyl-1,4-dihydropyridines Pfizer Limited (GB) 1989-04-05 EP claimed
US-5248681-A DIHYDROPYRIDINE ANTIALLERGY AGENTS PFIZER INC. (US) 1993-09-28 US disclosed
US-5214044-A Antiallergens PFIZER INC. (US) 1993-05-25 US disclosed
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
WO-1990012015-A1 DIHYDROPYRIDINE ANTIALLERGY AGENTS PFIZER LIMITED (GB) 1990-10-18 WO 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