SCHEMBL8894490

SCHEMBL8894490

[CH2]CC(C)(Cc1c[nH]c2ccccc12)C(=O)NC(CC)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ACE P12821 1/20 0.48
CTSL P07711 1/20 0.48
KMT2A Q03164 2/20 0.47
TACR1 P25103 2/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ECE1 P42892 1/20 0.46

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
SCHEMBL9293690 0.92 ACE (0.48) KDM4EACECTSLKMT2ATACR1
SCHEMBL8893462 0.80 ACE (0.50) KDM4EACECTSLKMT2ATACR1
SCHEMBL8893039 0.79 CCKBR (0.63) KDM4EKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL27330226 0.78 ACE (0.50) KDM4EACECTSLKMT2ATACR1
SCHEMBL8829880 0.78 ACE (0.50) KDM4EACECTSLKMT2ATACR1
SCHEMBL12009634 0.77 ALDH1A1 (0.58) KDM4ECTSLKMT2AMEN1ALDH1A1
SCHEMBL6888621 0.76 TACR1 (0.58) TACR1
SCHEMBL8829867 0.76 TACR1 (0.58) TACR1
SCHEMBL8829871 0.76 TACR1 (0.58) TACR1
SCHEMBL6888466 0.74 USP2 (0.47) KDM4EACEKMT2ATACR1MEN1

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
US-5593967-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed