SCHEMBL6202417

SCHEMBL6202417

OCC(c1cccc(Br)c1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
SLC6A2 P23975 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CHRND Q07001 1/20 0.44
OPRL1 P41146 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 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
SCHEMBL4063476 0.80 MBTD1 (0.46) MBTD1L3MBTL3CHRNA1CHRNGCHRNB1
SCHEMBL1205831 0.79 OPRL1 (0.63) SLC6A2OPRL1CYP1A2CYP2C19CYP3A4
SCHEMBL3583059 0.79 OPRL1 (0.63) SLC6A2OPRL1CYP1A2CYP2C19CYP3A4
SCHEMBL8507420 0.79 OPRL1 (0.63) SLC6A2OPRL1CYP1A2CYP2C19CYP3A4
SCHEMBL8074161 0.78 CYP1A2 (0.66) OPRL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL13039159 0.78 CYP1A2 (0.66) OPRL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL8074159 0.78 CYP1A2 (0.66) OPRL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL4193407 0.73 LMNA (0.66) MBTD1L3MBTL3CHRNA1CHRNGCHRNB1
SCHEMBL5858340 0.71 IDO1 (0.43) SLC6A2SLC6A3CYP3A4CYP2D6MAPK1
SCHEMBL7605334 0.71 IDO1 (0.47) SLC6A2SLC6A3CYP3A4CYP2D6MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed