SCHEMBL9538103

SCHEMBL9538103

CCCCCCCCC(C)C(NC(CO)C(O)c1ccccc1)C(C)(Cc1c[nH]c2ccccc12)OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.38
TACR3 P29371 1/20 0.38
ADRB3 P13945 1/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 3/20 0.38
MTNR1A P48039 1/20 0.37
MMP14 P50281 1/20 0.37
GHSR Q92847 1/20 0.36

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
SCHEMBL6888854 0.75 TACR1 (0.46) TACR1TACR3ADRB3
SCHEMBL9539175 0.75 ADRB3 (0.44) TACR1TACR3ADRB3MMP9MMP8
SCHEMBL9538112 0.74 TACR3 (0.45) TACR1TACR3
SCHEMBL8705433 0.72 TACR1 (0.46) TACR1TACR3ADRB3
SCHEMBL8715705 0.70 TACR1 (0.46) TACR1TACR3ADRB3
SCHEMBL9541550 0.69 TACR1 (0.43) TACR1TACR3
SCHEMBL9293660 0.68 TACR1 (0.48) TACR1TACR3
SCHEMBL8892928 0.67 TACR1 (0.57) TACR1TACR3
SCHEMBL7669465 0.67 ADRB3 (0.44) TACR1TACR3ADRB3
SCHEMBL8485370 0.67 TACR1 (0.61) TACR1TACR3

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 disclosed