SCHEMBL13435360

SCHEMBL13435360

N#CC(CCN1CCC(c2ccccc2)(c2nn[nH]n2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 9/20 0.59
CCR1 P32246 8/20 0.52
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TET3 O43151 1/20 0.50
KMT2A Q03164 1/20 0.50
FBXL19 Q6PCT2 1/20 0.50
CXXC5 Q7LFL8 1/20 0.50
TET1 Q8NFU7 1/20 0.50
KDM2B Q8NHM5 1/20 0.50
CXXC4 Q9H2H0 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50
OPRM1 P35372 1/20 0.50

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
SCHEMBL12265188 0.83 KCNA3 (0.59) KCNA3CCR1RAB9ANPSR1OPRM1
SCHEMBL12313132 0.79 KCNA3 (0.56) KCNA3CCR1RAB9ANPSR1OPRM1
SCHEMBL2525815 0.78 OPRM1 (0.57) RAB9ANPSR1TET3KMT2AFBXL19
SCHEMBL27645407 0.78 KMT2A (0.55) TET3KMT2AFBXL19CXXC5TET1
SCHEMBL12216179 0.76 KMT2A (0.54) KCNA3RAB9ANPSR1TET3KMT2A
SCHEMBL12313089 0.76 KCNA3 (0.55) KCNA3CCR1RAB9ANPSR1OPRM1
SCHEMBL12265183 0.75 KCNA3 (0.73) KCNA3CCR1RAB9ANPSR1OPRM1
SCHEMBL2529201 0.75 KMT2A (0.57) TET3KMT2AFBXL19CXXC5TET1
SCHEMBL11601787 0.75 KCNA3 (1.00) KCNA3CCR1
SCHEMBL12313133 0.75 KCNA3 (0.56) KCNA3CCR1RAB9ANPSR1OPRM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687518-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-03-30 US disclosed
US-7687518-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-03-30 US disclosed
EP-1562932-B9 4-TETRAZOLYL-4-PHENYLPIPERIDINE DERIVATIVES FOR TREATING PAIN EURO CELTIQUE SA (LU) 2007-09-12 EP disclosed
US-7202259-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-04-10 US disclosed
US-7202259-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-04-10 US disclosed
EP-1562932-B1 4-TETRAZOLYL-4-PHENYLPIPERIDINE DERIVATIVES FOR TREATING PAIN EURO CELTIQUE SA (LU) 2007-04-04 EP disclosed