SCHEMBL7499222

SCHEMBL7499222

CNC(=O)c1cc(F)ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.51
GAA P10253 1/20 0.47
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
ANO1 Q5XXA6 1/20 0.42
KDR P35968 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
KEAP1 Q14145 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
BCHE P06276 1/20 0.39
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL7981585 0.85 F2R (0.51) F2RGAACES2CES1KMT2A
SCHEMBL27086121 0.82 ALDH1A1 (0.64) F2RGAAKMT2AALDH1A1RAB9A
SCHEMBL22466424 0.81 F2R (0.51) F2RGAACES2CES1ANO1
SCHEMBL7504225 0.81 MAPT (0.55) GAACES2KMT2AALDH1A1RAB9A
SCHEMBL7133296 0.81 CES2 (0.61) GAACES2CES1ANO1ALDH1A1
SCHEMBL19472422 0.81 F2R (0.48) F2RGAACES2CES1ANO1
SCHEMBL15915661 0.81 POLB (0.49) F2RCES2CES1ANO1KDR
SCHEMBL2335502 0.81 F2R (0.54) F2RCES2CES1ANO1KDR
SCHEMBL7498862 0.79 F2R (0.50) F2RKMT2ARAB9ANPC1MAPT
SCHEMBL11636186 0.79 GAA (0.48) GAACES2CES1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734383-B1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ASTRAZENECA AB (SE) 2002-07-24 EP disclosed
US-5965576-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1999-10-12 US disclosed
US-5705505-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1998-01-06 US disclosed
CN-1142822-A Cyclic amide derivatives as neurokinin A antagonists ZENECA LTD (GB) 1997-02-12 CN disclosed
US-5589489-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1996-12-31 US disclosed
EP-0734383-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1996-10-02 EP disclosed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 WO disclosed