SCHEMBL9257063

SCHEMBL9257063

c1ccc(-c2nn(CCc3ncc[nH]3)c3ccncc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40
TAAR1 Q96RJ0 3/20 0.38
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BTK Q06187 2/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TBXAS1 P24557 1/20 0.34
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
MTOR P42345 1/20 0.34
ADK P55263 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
ACHE P22303 1/20 0.34
GPR84 Q9NQS5 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
SCHEMBL9259459 0.88 NAMPT (0.38) KDM4ETAAR1ALDH1A1LMNAHPGD
SCHEMBL9255091 0.85 NAMPT (0.33) TAAR1
SCHEMBL9263114 0.79 TSHR (0.46) HSD17B10KDM4ETSHRALDH1A1L3MBTL1
SCHEMBL9306122 0.77 HSD17B10 (0.47) HSD17B10KDM4ETSHRALDH1A1L3MBTL1
SCHEMBL9305128 0.76 CYP2D6 (0.50) HSD17B10KDM4ETSHRALDH1A1L3MBTL1
SCHEMBL9304159 0.76 KDM4E (0.40) HSD17B10KDM4ETSHRALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL8134231 0.76 HSD17B10 (0.46) HSD17B10KDM4ETSHRALDH1A1L3MBTL1
SCHEMBL9303584 0.74 CYP2D6 (0.57) HSD17B10KDM4ETSHRALDH1A1LMNA
Hydrochloric Acid SCHEMBL8138785 0.74 HSD17B10 (0.50) HSD17B10KDM4ETSHRALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL8135773 0.73 CYP2D6 (0.56) HSD17B10KDM4ETSHRALDH1A1LMNA

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