SCHEMBL8430729

SCHEMBL8430729

CC(C)N(C(=O)CBr)c1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 3/20 0.46
GPX4 P36969 1/20 0.46
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL27009973 0.82 TRPM8 (0.51) TRPM8KMT2AMEN1ALDH1A1GABRA1
SCHEMBL3521407 0.81 TRPM8 (0.50) TRPM8KMT2AMEN1ALDH1A1GABRA1
SCHEMBL11872443 0.75 SMN1; SMN2 (0.45) TRPM8ALDH1A1GABRA1GABRB2LMNA
SCHEMBL10653725 0.73 TRPM8 (0.45) TRPM8KMT2AMEN1ALDH1A1GABRA1
SCHEMBL3523911 0.72 TSHR (0.49) TRPM8KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8426915 0.72 ALDH1A1 (0.49) TRPM8KMT2AMEN1ALDH1A1LMNA
SCHEMBL20266539 0.72 TRPM8 (0.44) TRPM8KMT2AALDH1A1GABRA1GABRB2
SCHEMBL15624544 0.72 TAAR1 (0.52) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL24315703 0.72 TAAR1 (0.46) TRPM8GABRA1GABRB2L3MBTL1HPGD
SCHEMBL14518799 0.72 NPC1 (0.46) TRPM8KMT2AMEN1ALDH1A1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859007-A TREATMENT OF DIABETES, OBESITY GLAXO WELLCOME INC. (US) 1999-01-12 US disclosed
EP-0755384-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
WO-1995028391-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed