SCHEMBL8266050

SCHEMBL8266050

CC(C)N(C(=O)c1cnc(N2CCC3CCCCC3C2)nc1-c1ccccc1F)c1cccc(O)c1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CAMK1D Q8IU85 8/20 0.37
▸ HTR2C P28335 2/20 0.35
▸ HCRTR1 O43613 9/20 0.34
▸ HCRTR2 O43614 9/20 0.34
▸ TACR1 P25103 1/20 0.34

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
SCHEMBL8267651 0.93 CHRM2 (0.37) CAMK1DHTR2CHCRTR1HCRTR2TACR1
SCHEMBL11923185 0.90 HCRTR2 (0.36) CAMK1DHTR2CHCRTR1HCRTR2
SCHEMBL11923197 0.90 GPBAR1 (0.36) CAMK1DHTR2CHCRTR1HCRTR2TACR1
SCHEMBL11923211 0.87 TACR1 (0.39) CAMK1DHTR2CTACR1
SCHEMBL11923170 0.87 CCNE1 (0.38) CAMK1DHCRTR1HCRTR2
SCHEMBL11923264 0.87 MAPT (0.35) CAMK1DHCRTR1HCRTR2TACR1
SCHEMBL11923227 0.81 HSD17B10 (0.43) CAMK1DHCRTR1HCRTR2TACR1
SCHEMBL8266031 0.80 HCRTR2 (0.36) CAMK1DHCRTR1HCRTR2TACR1
SCHEMBL8266820 0.80 HCRTR2 (0.36) CAMK1DHCRTR1HCRTR2TACR1
SCHEMBL11923210 0.80 HCRTR2 (0.36) CAMK1DHCRTR1HCRTR2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050476-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-11 — — WO disclosed
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