SCHEMBL8750775

SCHEMBL8750775

CC(C)Nc1cncc(C(=NC#N)NCCc2ccccc2Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.38
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
P2RX7 Q99572 5/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NTRK1 P04629 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL8750766 0.87 P2RX7 (0.42) HIF1ASCN2ASCN10AP2RX7ROCK2
SCHEMBL8750822 0.87 P2RX7 (0.37) HIF1ASCN2ASCN10AP2RX7ROCK2
SCHEMBL8750765 0.84 KDM4E (0.39) HIF1ASCN2ASCN10AP2RX7ROCK2
SCHEMBL8750770 0.84 KDR (0.36) HIF1ASCN2ASCN10AP2RX7ROCK2
SCHEMBL8750839 0.84 P2RX7 (0.41) HIF1ASCN2ASCN10AP2RX7ROCK2
SCHEMBL8750736 0.83 HIF1A (0.38) HIF1ASCN2ASCN10AP2RX7ROCK2
SCHEMBL8750824 0.83 HIF1A (0.40) HIF1ASCN2ASCN10AP2RX7ROCK2
SCHEMBL8750783 0.82 P2RX7 (0.38) HIF1ASCN2ASCN10AP2RX7ROCK2
SCHEMBL8750857 0.82 LMNA (0.47) HIF1ASCN2ASCN10AP2RX7ROCK2
SCHEMBL5044053 0.82 HIF1A (0.39) HIF1ASCN2ASCN10AP2RX7ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP claimed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US claimed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP claimed
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP disclosed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP disclosed