SCHEMBL6973060

SCHEMBL6973060

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
PPP1CA P62136 1/20 0.34
BCL2A1 Q16548 1/20 0.33
EGFR P00533 3/20 0.33
ERBB2 P04626 2/20 0.33
PTPN11 Q06124 2/20 0.33
MALT1 Q9UDY8 1/20 0.33
ERBB3 P21860 1/20 0.33
KDR P35968 1/20 0.33
PTK2 Q05397 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
IKBKB O14920 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ARF6 P62330 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL6974758 0.89 DRD2 (0.36) MAPTALDH1A1LCATLMNA
SCHEMBL6961941 0.84 MAPT (0.42) MAPTHTR1AHTR7PPP1CABCL2A1
SCHEMBL6964319 0.82 MAPT (0.40) MAPTHTR1AHTR7ALDH1A1LMNA
SCHEMBL6977630 0.78 MAPT (0.38) MAPTHTR1AHTR7PPP1CABCL2A1
SCHEMBL6963927 0.71 ABCG2 (0.45) MAPTHTR1AHTR7ALDH1A1SIGMAR1
SCHEMBL6959295 0.70 MEN1 (0.42) MAPTHTR1AALDH1A1PDE3BPDE3A
SCHEMBL6955903 0.70 LMNA (0.41) MAPTHTR7ALDH1A1LMNA
SCHEMBL6966641 0.68 TP53 (0.41) MAPTHTR1AHTR7ALDH1A1LMNA
SCHEMBL6967175 0.68 KDM4E (0.38) MAPTALDH1A1PDE3BPDE3ALMNA
SCHEMBL6966146 0.67 ABCG2 (0.43) MAPTHTR7ALDH1A1PDE3BPDE3A

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 1 patent. 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