SCHEMBL9379168

SCHEMBL9379168

O=C(c1cccnc1)N1N=CCC1C1CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.63
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
APP P05067 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
STAT3 P40763 1/20 0.41
HPGD P15428 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
SCHEMBL179757 0.81 RIPK1 (0.66) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL29595423 0.81 RIPK1 (0.66) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2481688 0.81 RIPK1 (0.66) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL179758 0.81 RIPK1 (0.66) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9378120 0.78 RIPK1 (0.88) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL12204414 0.77 RIPK1 (0.62) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9378435 0.77 RIPK1 (0.62) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9378268 0.77 RIPK1 (0.62) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9370134 0.77 RIPK1 (1.00) RIPK1L3MBTL1ALDH1A1POLB
SCHEMBL9383151 0.75 RIPK1 (0.59) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7

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