SCHEMBL11516065

SCHEMBL11516065

CCC1c2c(ncn2C)CCN1C(=O)NC(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 2/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP2C9 P11712 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
HIF1A Q16665 1/20 0.30
POLB P06746 1/20 0.30
PIK3CD O00329 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK10 P53779 1/20 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
SCHEMBL11516640 0.88 TRPM8 (0.34) TRPM8MEN1KMT2ACYP3A4NR1I2
SCHEMBL11479365 0.87 LMNA (0.34)
SCHEMBL11474681 0.75 LMNA (0.34)
SCHEMBL11515667 0.71 AOC3 (0.46) TRPM8HRH2HRH1
SCHEMBL11491448 0.68 DPP4 (0.35)
SCHEMBL11483555 0.59 LMNA (0.34)
SCHEMBL11477158 0.59 LMNA (0.44) HRH3MEN1KMT2A
SCHEMBL11515919 0.58 AOC3 (0.41)
SCHEMBL11516578 0.57 AOC3 (0.58) TRPM8CYP3A4HIF1AMAPK8MAPK10
SCHEMBL11516165 0.57 AOC3 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US claimed
US-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US disclosed