SCHEMBL28249387

SCHEMBL28249387

COc1nccnc1CC(C)C.C[C](C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
CYP2D6 P10635 3/20 0.34
HRH1 P35367 3/20 0.34
CHRM1 P11229 2/20 0.34
KCNH2 Q12809 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACACB O00763 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE10A Q9Y233 2/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31

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
SCHEMBL113424 0.94 TRPM8 (0.39) PDE3BPDE3ATRPM8CYP2D6HRH1
SCHEMBL29466583 0.94 TRPM8 (0.39) PDE3BPDE3ATRPM8CYP2D6HRH1
SCHEMBL28325533 0.82 TSHR (0.35) PDE3BPDE3ATRPM8ALDH1A1KDM4E
SCHEMBL28127637 0.79 TRPM8 (0.34) TRPM8CYP2D6HRH1CHRM1KCNH2
SCHEMBL20243528 0.78 CYP2D6 (0.32) CYP2D6HRH1CHRM1KCNH2
SCHEMBL2584656 0.77 HPGD (0.39) PDE3BPDE3ATRPM8ALDH1A1KDM4E
SCHEMBL15633445 0.76 ALDH1A1 (0.40) PDE3BPDE3ACYP2D6HRH1CHRM1
SCHEMBL29606513 0.76 ALDH1A1 (0.40) PDE3BPDE3ACYP2D6HRH1CHRM1
SCHEMBL18858530 0.75 PDE3B (0.44) PDE3BPDE3ATRPM8KDM4EUSP2
SCHEMBL28249304 0.74 FAAH (0.32) MEN1KMT2A

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
CN-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed