SCHEMBL4733703

SCHEMBL4733703

CCN(CC)c1ccc(C(=O)N(C(=O)O)c2ccc(F)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.46
CACNA1H O95180 1/20 0.41
KMT2A Q03164 2/20 0.40
RXRA P19793 7/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
GBA1 P04062 1/20 0.39
CXCR2 P25025 4/20 0.38
CXCR1 P25024 3/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
AOC3 Q16853 1/20 0.37
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL3060027 0.84 CACNA1H (0.39) HCAR3CACNA1HKMT2ARXRAGBA1
SCHEMBL3823160 0.78 HCAR3 (0.41) HCAR3CACNA1HKMT2ARXRARXRB
SCHEMBL3823885 0.78 KCNQ3 (0.50) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL5430899 0.75 HCAR3 (0.54) HCAR3KMT2AGBA1MEN1ALDH1A1
SCHEMBL4736030 0.75 CACNA1H (0.47) CACNA1HKMT2AGBA1MEN1ALDH1A1
SCHEMBL4739784 0.75 CNR1 (0.37) ALDH1A1GAAMAPT
SCHEMBL13611416 0.75 HCAR3 (0.76) HCAR3RXRARXRBRXRGGBA1
SCHEMBL3049317 0.74 KMT2A (0.60) KMT2ACXCR2CXCR1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL27869687 0.73 HCAR3 (0.73) HCAR3RXRARXRBRXRGGBA1
SCHEMBL14534877 0.73 HCAR3 (0.58) HCAR3KMT2ARXRARXRBRXRG

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed