SCHEMBL9259873

SCHEMBL9259873

CCCCCn1nnc(-c2cnc3cccc(C)n3c2=O)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.38
ADORA2A P29274 2/20 0.38
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
LPAR2 Q9HBW0 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
SCHEMBL9217834 0.92 HTT (0.36)
SCHEMBL9208224 0.88 SMN1; SMN2 (0.39)
SCHEMBL9259026 0.79 ADORA2A (0.38) ADORA2A
SCHEMBL9210936 0.78 MAPT (0.40)
SCHEMBL9213645 0.76 HTT (0.37)
SCHEMBL9217990 0.73 NPC1 (0.39) ADORA2A
SCHEMBL9263794 0.70 HTT (0.40)
SCHEMBL9263856 0.70 HTT (0.38)
SCHEMBL9217238 0.68 SMN1; SMN2 (0.40)
SCHEMBL4403796 0.67 RAB9A (0.56) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5475000-A Antiulcer agents CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1995-12-12 US disclosed
EP-0641340-A1 NEW 3-(SUBSTITUTED TETRAZOLYL)-4-OXO-4H-PYRIDO- 1,2-a]PYRIMIDINES, SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1995-03-08 EP disclosed
WO-1993004065-A1 NEW 3-(SUBSTITUTED TETRAZOLYL)-4-OXO-4H-PYRIDO-[1,2-a]PYRIMIDINES, SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-03-04 WO disclosed