SCHEMBL9538882

SCHEMBL9538882

CCCCCCCCC(C)OC(=O)NC(C)(Cc1cc2c(cn1)[nH]c1ccccc12)C(=O)NC(CO)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 10/20 0.41
GABRG2 P18507 10/20 0.41
GABRB3 P28472 10/20 0.41
GABRA5 P31644 10/20 0.41
GABRA3 P34903 10/20 0.41
GABRA2 P47869 10/20 0.41
GABRA6 Q16445 5/20 0.41
GABRA4 P48169 4/20 0.40
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRE P78334 2/20 0.40
GABRG1 Q8N1C3 2/20 0.40
GABRG3 Q99928 2/20 0.40
GABRQ Q9UN88 2/20 0.40
IDO1 P14902 1/20 0.40
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL9700903 0.84 ALDH1A1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9540664 0.82 TACR1 (0.55) TACR1TACR3
SCHEMBL9540669 0.82 TACR1 (0.55) TACR1TACR3
SCHEMBL9538871 0.82 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9540182 0.80 KDM4E (0.41) KMT2AKDM4EL3MBTL1TACR1TACR3
SCHEMBL9538885 0.80 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9538450 0.80 KDM4E (0.42) KMT2AKDM4EL3MBTL1ALDH1A1CYP3A4
SCHEMBL9538034 0.73 TACR3 (0.54) TACR1TACR3
SCHEMBL9338635 0.72 TACR1 (0.55) TACR1TACR3
SCHEMBL9539374 0.66 TACR3 (0.45) KMT2AKDM4EL3MBTL1TACR1TACR3

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
WO-1993003721-A1 CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION WARNER-LAMBERT COMPANY (US) 1993-03-04 WO claimed