SCHEMBL6974758

SCHEMBL6974758

O=CNc1c(C2CCN(c3ccccc3)CC2)n[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.36
DRD4 P21917 7/20 0.36
DRD3 P35462 6/20 0.36
MAPK13 O15264 3/20 0.36
MAPK12 P53778 3/20 0.36
MAPK11 Q15759 3/20 0.36
MAPK14 Q16539 3/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LCAT P04180 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL6973060 0.89 MAPT (0.38) MAPTLMNAALDH1A1LCAT
SCHEMBL6964319 0.87 MAPT (0.40) MAPTLMNAALDH1A1RAB9ANPC1
SCHEMBL6974762 0.77 LCAT (0.37) DRD2DRD4DRD3MAPK13MAPK12
SCHEMBL8308786 0.76 DRD4 (0.43) DRD2DRD4DRD3MAPK13MAPK12
SCHEMBL6959295 0.74 MEN1 (0.42) DRD2DRD4DRD3MAPTLMNA
SCHEMBL8143341 0.72 LMNA (0.38) DRD3MAPK13MAPK12MAPK11MAPK14
SCHEMBL6966641 0.72 TP53 (0.41) MAPTLMNAALDH1A1RAB9ANPC1
SCHEMBL6967175 0.72 KDM4E (0.38) DRD2DRD3MAPTLMNAALDH1A1
SCHEMBL6963927 0.72 ABCG2 (0.45) MAPTLMNAALDH1A1KMT2A
SCHEMBL6961941 0.72 MAPT (0.42) MAPTLMNAALDH1A1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945439-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP claimed
EP-0945439-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP disclosed
US-6166038-A Aminopyrazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0945439-A1 NOVEL AMINOPYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed