SCHEMBL3129249

SCHEMBL3129249

Fc1cc(CNC2CC[N]CC2)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
OPRL1 P41146 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
MAP4K4 O95819 3/20 0.37
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CXCR3 P49682 1/20 0.36
CCR2 P41597 1/20 0.36
TACR1 P25103 2/20 0.36
TEAD1 P28347 3/20 0.36
HTT P42858 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
SCHEMBL3130160 0.83 TACR1 (0.44) CARM1PRMT6OPRL1BCHEACHE
SCHEMBL374621 0.83 MAP4K4 (0.46) CARM1PRMT6OPRL1BCHEACHE
SCHEMBL5274750 0.80 CARM1 (0.47) CARM1PRMT6BCHEACHEBACE1
SCHEMBL2095701 0.77 MAP4K4 (0.38) CARM1PRMT6BCHEACHEBACE1
SCHEMBL18640401 0.77 CARM1 (0.56) CARM1PRMT6BCHEACHEBACE1
SCHEMBL737354 0.74 MAP4K4 (0.47) CARM1PRMT6BCHEACHEBACE1
SCHEMBL21902398 0.73 CARM1 (0.48) CARM1PRMT6BCHEACHEBACE1
SCHEMBL21951131 0.73 CARM1 (0.42) CARM1PRMT6BCHEACHEBACE1
Formic Acid SCHEMBL5676546 0.72 TEAD1 (0.46) CARM1PRMT6BCHEACHEBACE1
SCHEMBL28469040 0.71 ALDH1A1 (0.51) CARM1PRMT6MAP4K4ALDH1A1HTT

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-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed