SCHEMBL7470004

SCHEMBL7470004

NC(=O)C(Br)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.49
EPHX1 P07099 2/20 0.44
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NOTUM Q6P988 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41
CTSA P10619 1/20 0.40
SCN9A Q15858 2/20 0.39
FFAR1 O14842 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39

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
SCHEMBL7472717 0.88 TRPM8 (0.45) TRPM8ALDH1A1GAAMAPTHPGD
SCHEMBL1566068 0.82 GPR139 (0.45) ALDH1A1GAAMAPTHPGDALOX15
SCHEMBL27649238 0.82 TRPM8 (0.49) TRPM8EPHX1GPR139
SCHEMBL7473087 0.81 EPHX1 (0.48) EPHX1ALDH1A1GAAMAPTSCN9A
SCHEMBL10624651 0.80 L3MBTL1 (0.59) TRPM8ALDH1A1
SCHEMBL30337490 0.79 TRPM8 (0.47) TRPM8EPHX1GPR139
SCHEMBL20349584 0.78 KAT6A (0.49) TRPM8EPHX1GPR139
SCHEMBL18945971 0.77 TRPM8 (0.47) TRPM8EPHX1NOTUMGPR139CTSA
SCHEMBL31177472 0.77 TRPM8 (0.47) TRPM8EPHX1NOTUMGPR139CTSA
SCHEMBL21272703 0.77 TRPM8 (0.47) TRPM8EPHX1NOTUMGPR139CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed