SCHEMBL9217875

SCHEMBL9217875

N#CN/C(=N\Cc1ccc(C(F)(F)F)cc1)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.47
TLR7 Q9NYK1 1/20 0.44
P2RX7 Q99572 1/20 0.41
HTR1A P08908 2/20 0.41
ADRA1A P35348 1/20 0.41
GRIN2B Q13224 1/20 0.40

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
SCHEMBL9217879 1.00 NAMPT (0.47) NAMPTTLR7P2RX7HTR1AADRA1A
SCHEMBL9218662 0.84 NAMPT (0.44) NAMPTHTR1AADRA1A
SCHEMBL9209299 0.84 HTR1A (0.45) NAMPTP2RX7HTR1AADRA1A
SCHEMBL9209304 0.84 HTR1A (0.45) NAMPTP2RX7HTR1AADRA1A
SCHEMBL9213866 0.84 NAMPT (0.44) NAMPTHTR1AADRA1A
SCHEMBL9209165 0.78 NAMPT (0.49) NAMPTP2RX7GRIN2B
SCHEMBL9209161 0.78 NAMPT (0.49) NAMPTP2RX7GRIN2B
SCHEMBL9216624 0.77 NPC1 (0.43) HTR1AADRA1A
SCHEMBL9216629 0.77 NPC1 (0.43) HTR1AADRA1A
SCHEMBL9217886 0.76 TLR7 (0.44) NAMPTTLR7P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP claimed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US claimed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP claimed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed