SCHEMBL9336205

SCHEMBL9336205

CC(c1c[nH]c2ccccc12)C(C)(OC(N)=O)C(=O)NC(CO)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 2/20 0.42
ACE P12821 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CCKBR P32239 2/20 0.39
TACR1 P25103 1/20 0.39
ECE1 P42892 1/20 0.39
GHSR Q92847 1/20 0.38
IL1RN P18510 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37

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
SCHEMBL6888466 0.80 USP2 (0.47) CYP3A4MAPK1USP2ACEKDM4E
SCHEMBL9336196 0.79 KMT2A (0.47) CYP3A4MAPK1USP2ACEKDM4E
SCHEMBL8829880 0.75 ACE (0.50) CYP3A4MAPK1USP2ACEKDM4E
SCHEMBL27330226 0.75 ACE (0.50) CYP3A4MAPK1USP2ACEKDM4E
SCHEMBL7663984 0.74 CYP3A4 (0.48) CYP3A4MAPK1USP2ACEKDM4E
SCHEMBL8700148 0.73 ACE (0.51) CYP3A4MAPK1USP2ACEKDM4E
SCHEMBL8710966 0.73 ACE (0.49) CYP3A4MAPK1USP2ACEKDM4E
SCHEMBL8893462 0.73 ACE (0.50) CYP3A4MAPK1USP2ACEKDM4E
SCHEMBL6888621 0.71 TACR1 (0.58) TACR1
SCHEMBL8829867 0.71 TACR1 (0.58) TACR1

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
EP-0594692-A1 CHOLECYSTOKININ ANTAGONISTS USEFUL IN THE TREATMENT OF PANIC ATTACKS WARNER-LAMBERT COMPANY (US) 1994-05-04 EP disclosed