SCHEMBL11516640

SCHEMBL11516640

CCC1c2c(ncn2CC)CCN1C(=O)NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.34
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
HIF1A Q16665 1/20 0.30
POLB P06746 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
SCHEMBL11516065 0.88 TRPM8 (0.32) TRPM8MEN1KMT2ACYP3A4NR1I2
SCHEMBL11474681 0.87 LMNA (0.34)
SCHEMBL11479365 0.75 LMNA (0.34)
SCHEMBL11515667 0.73 AOC3 (0.46) TRPM8
SCHEMBL11483555 0.69 LMNA (0.34)
SCHEMBL11517664 0.61 HTR2A (0.31)
SCHEMBL11491448 0.60 DPP4 (0.35)
SCHEMBL11515919 0.60 AOC3 (0.41)
SCHEMBL11516165 0.60 AOC3 (0.43) MEN1KMT2A
SCHEMBL11516578 0.60 AOC3 (0.58) TRPM8CYP3A4HIF1A

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