SCHEMBL6601074

SCHEMBL6601074

c1cc(CC[N]CC2CC2)co1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
DUSP3 P51452 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
SULT1E1 P49888 1/20 0.31
NAAA Q02083 1/20 0.31
OPRM1 P35372 2/20 0.30
OPRD1 P41143 2/20 0.30
OPRK1 P41145 2/20 0.30
ALOX5 P09917 1/20 0.30
KCNH2 Q12809 2/20 0.30
HRH3 Q9Y5N1 2/20 0.30

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
SCHEMBL4527978 0.82 ALOX5 (0.32) ALOX5
SCHEMBL10870257 0.70
SCHEMBL8670495 0.70 ALOX5 (0.43) PTPN2PTPN1DUSP3SULT1E1NAAA
SCHEMBL6601078 0.69 CNR2 (0.36) NR1H4NAAAALOX5
SCHEMBL4527984 0.64 MEN1 (0.42) OPRK1
SCHEMBL7364191 0.63
SCHEMBL2008986 0.62
SCHEMBL11453935 0.62
SCHEMBL356407 0.62
SCHEMBL2008989 0.62

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-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO disclosed