SCHEMBL9255091

SCHEMBL9255091

Clc1ccc(-c2nn(CCc3ncc[nH]3)c3ccncc23)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.33
NPY5R Q15761 3/20 0.33
HRH1 P35367 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MAPK13 O15264 2/20 0.32
MAPK12 P53778 2/20 0.32
MAPK11 Q15759 2/20 0.32
MAPK14 Q16539 2/20 0.32
P2RX7 Q99572 1/20 0.31
BRAF P15056 1/20 0.31
DCLK1 O15075 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
EGFR P00533 1/20 0.31
PRKACA P17612 1/20 0.31
FLT3 P36888 1/20 0.31
FRK P42685 1/20 0.31
MAPK9 P45984 1/20 0.31
CSNK1A1 P48729 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL9259459 0.89 NAMPT (0.38) NAMPTTAAR1MAP4K4EGFRFRK
SCHEMBL9257063 0.85 HSD17B10 (0.40) TAAR1
SCHEMBL9303594 0.80 HRH1 (0.36) NAMPTNPY5RHRH1MAPK13MAPK12
SCHEMBL9257041 0.79 NAMPT (0.34) NAMPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL9303543 0.78 TEAD2 (0.39) NAMPTNPY5RHRH1MAPK13MAPK12
SCHEMBL9304621 0.77 TEAD2 (0.43) NAMPTHRH1MAPK13MAPK12MAPK11
SCHEMBL9255098 0.75 MAPK1 (0.41)
SCHEMBL9257046 0.75 KCNH2 (0.38) NAMPTMAPK13MAPK12MAPK11MAPK14
Maleic Acid SCHEMBL8135697 0.72 TEAD2 (0.37) NAMPT
Fumaric Acid SCHEMBL8135703 0.72 TEAD2 (0.37) NAMPT

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
US-5296491-A Pyrazolo[4,3-c]pyridines and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-22 US claimed
US-5428169-A Antidepressants, treating compulsive disorders, stuttering, trichotillomania HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-06-27 US disclosed
US-5380847-A Reaction of 1-methylpiperidine-4-hydrazine, ketone and titanium isopropoxide to form hydrazone HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1995-01-10 US disclosed
EP-0594001-A1 Pyrazolo 4,3-c pyridines, a process for their preparation and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-04-27 EP disclosed
US-5296491-A Pyrazolo[4,3-c]pyridines and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-22 US disclosed
US-5264576-A Antiserotonin agents, antidepressants and obsessive-compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-23 US disclosed