SCHEMBL9209299

SCHEMBL9209299

Cc1ccc(C/N=C(\NC#N)c2ccccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.45
ADRA1A P35348 1/20 0.45
NAMPT P43490 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX7 Q99572 1/20 0.41

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
SCHEMBL9209304 1.00 HTR1A (0.45) HTR1AADRA1ANAMPTNPC1RAB9A
SCHEMBL9213906 0.88 HTR1A (0.48) HTR1AADRA1ANAMPTNPC1RAB9A
SCHEMBL9213912 0.88 HTR1A (0.48) HTR1AADRA1ANAMPTNPC1RAB9A
SCHEMBL9218662 0.87 NAMPT (0.44) HTR1AADRA1ANAMPT
SCHEMBL9213866 0.87 NAMPT (0.44) HTR1AADRA1ANAMPT
SCHEMBL9217875 0.84 NAMPT (0.47) HTR1AADRA1ANAMPTP2RX7
SCHEMBL9217879 0.84 NAMPT (0.47) HTR1AADRA1ANAMPTP2RX7
SCHEMBL9219153 0.79 HTR1A (0.47) HTR1AADRA1ANPC1RAB9A
SCHEMBL9216880 0.79 HTR1A (0.47) HTR1AADRA1ANPC1RAB9A
SCHEMBL9216629 0.77 NPC1 (0.43) HTR1AADRA1ANPC1RAB9A

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
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP 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