SCHEMBL3830730

SCHEMBL3830730

Cc1cccc(N(Cc2ccc(N3CCN(C)CC3)nc2)C(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
HTR2C P28335 1/20 0.46
NPC1 O15118 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
KMT2A Q03164 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
ADAMTS4 O75173 9/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41

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
SCHEMBL3828031 0.92 RAB9A (0.50) RAB9AHTR2CDRD2DRD4KMT2A
SCHEMBL3822555 0.90 RAB9A (0.52) RAB9AHTR2CNPC1KMT2AL3MBTL1
SCHEMBL3826950 0.89 RAB9A (0.51) RAB9AHTR2CDRD2DRD4KMT2A
SCHEMBL3822411 0.89 RAB9A (0.51) RAB9AHTR2CDRD2DRD4KMT2A
SCHEMBL3825200 0.89 HTR2C (0.48) RAB9AHTR2CDRD2DRD4KMT2A
SCHEMBL3826982 0.89 RAB9A (0.54) RAB9AHTR2CDRD2DRD4KMT2A
SCHEMBL3824268 0.87 RAB9A (0.51) RAB9AHTR2CDRD2DRD4KMT2A
SCHEMBL8181498 0.85 RAB9A (0.51) RAB9ANPC1KMT2AL3MBTL1
SCHEMBL3825171 0.84 RAB9A (0.53) RAB9AHTR2CDRD2DRD4KMT2A
Hydrochloric Acid SCHEMBL3822406 0.83 RAB9A (0.52) RAB9AHTR2CDRD2DRD4KMT2A

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-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP claimed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed