SCHEMBL9378435

SCHEMBL9378435

CCC1CC=NN1C(=O)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.62
GAA P10253 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
PIK3CD O00329 1/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
FABP6 P51161 1/20 0.41
POLB P06746 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
SCHEMBL9383151 0.90 RIPK1 (0.59) RIPK1GAACHRNB2CHRNB4CHRNA3
SCHEMBL9380032 0.88 RIPK1 (0.57) RIPK1GAACHRNB2CHRNB4CHRNA3
SCHEMBL12204414 0.87 RIPK1 (0.62) RIPK1GAACHRNB2CHRNB4CHRNA3
SCHEMBL179757 0.82 RIPK1 (0.66) RIPK1GAACHRNB2CHRNB4CHRNA3
SCHEMBL2481688 0.82 RIPK1 (0.66) RIPK1GAACHRNB2CHRNB4CHRNA3
SCHEMBL179758 0.82 RIPK1 (0.66) RIPK1GAACHRNB2CHRNB4CHRNA3
SCHEMBL29595423 0.82 RIPK1 (0.66) RIPK1GAACHRNB2CHRNB4CHRNA3
SCHEMBL2481041 0.81 RIPK1 (0.61) RIPK1GAACHRNB2CHRNB4CHRNA3
SCHEMBL13388811 0.81 RIPK1 (0.61) RIPK1GAACHRNB2CHRNB4CHRNA3
SCHEMBL9378268 0.79 RIPK1 (0.62) RIPK1GAACHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295695-B1 Pyrazoline derivatives and agents for treating cerebrovascular diseases containing the same as active ingredient MITSUI TOATSU CHEMICALS (JP) 1994-06-08 EP claimed
EP-0295695-B1 Pyrazoline derivatives and agents for treating cerebrovascular diseases containing the same as active ingredient MITSUI TOATSU CHEMICALS (JP) 1994-06-08 EP disclosed
US-4990529-A Nervous system disorder MITSUI TOATSU CHEMICALS (JP) 1991-02-05 US disclosed
US-4839376-A Pyrazoline derivatives for treating cerebrovascular diseases MITSUI TOATSU CHEMICALS, INC. (JP) 1989-06-13 US disclosed
EP-0295695-A2 Pyrazoline derivatives and agents for treating cerebrovascular diseases containing the same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-12-21 EP disclosed