SCHEMBL7211318

SCHEMBL7211318

CNCCCCCCOC1CCC(N(C)C(=O)Nc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
TP53 P04637 1/20 0.46
NPY5R Q15761 2/20 0.43
CCR5 P51681 4/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 1/20 0.39
USP30 Q70CQ3 1/20 0.39
ABCC1 P33527 1/20 0.39
KMT2A Q03164 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL7211321 1.00 ATM (0.54) ATMTP53NPY5RCCR5RAB9A
SCHEMBL7206585 0.90 ATM (0.42) ATMTP53NPY5RCCR5RAB9A
SCHEMBL7212922 0.90 ATM (0.42) ATMTP53NPY5RCCR5RAB9A
SCHEMBL7206586 0.90 ATM (0.42) ATMTP53NPY5RCCR5RAB9A
SCHEMBL7212919 0.90 ATM (0.42) ATMTP53NPY5RCCR5RAB9A
SCHEMBL4801680 0.82 LSS (0.52) ATMTP53NPY5RCCR5RAB9A
SCHEMBL4801683 0.82 LSS (0.52) ATMTP53NPY5RCCR5RAB9A
SCHEMBL7205441 0.78 ABCC1 (0.37) TP53RAB9AABCC1KMT2A
SCHEMBL7205438 0.78 ABCC1 (0.37) TP53RAB9AABCC1KMT2A
SCHEMBL7208986 0.75 LMNA (0.40) RAB9APOLBUSP30KMT2ACARM1

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-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed