SCHEMBL6601078

SCHEMBL6601078

c1cc(CCNCC2CC2)co1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
EP300 Q09472 2/20 0.34
SAT1 P21673 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK14 Q16539 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
NAAA Q02083 1/20 0.33
VCP P55072 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
ALOX5 P09917 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL4527984 0.82 MEN1 (0.42) EP300TSHRMEN1TP53CYP3A4
SCHEMBL1967142 0.74 HTR2A (0.56) ADRA1DADRA1AADRA1BMAPTHTR2A
SCHEMBL1967205 0.73 ALDH1A1 (0.52) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL1967608 0.71 NPC1 (0.46) ADRA1DADRA1AADRA1BTSHRALDH1A1
SCHEMBL5127860 0.71 ADRA1D (0.40) ADRA1DADRA1AADRA1BSAT1ALDH1A1
SCHEMBL25343202 0.71 GFER (0.46) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL1968986 0.71 L3MBTL1 (0.50) ADRA1DADRA1AADRA1BSAT1ALDH1A1
SCHEMBL1969046 0.71 TAAR1 (0.50) KDM4EALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL2406756 0.71 KMT2A (0.51) ALDH1A1MEN1CYP2D6CYP2C19KMT2A
SCHEMBL2006207 0.71 CNR2 (0.43) CNR2ALDH1A1MAPTNAAAALOX5

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