SCHEMBL7665676

SCHEMBL7665676

CC(Cc1ccc(O)cc1)(NC(=O)O)C(=O)NC(CO)C(O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.43
RIPK1 Q13546 1/20 0.38
TACR1 P25103 4/20 0.37
NPY5R Q15761 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
BLM P54132 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7670805 0.88 TACR1 (0.44) TACR3TACR1NPY5RMMP9
SCHEMBL7670973 0.88 NPY5R (0.46) TACR3NPY5R
SCHEMBL9539148 0.80 BLM (0.37) RIPK1NPY5ROPRM1OPRD1OPRK1
SCHEMBL8892928 0.77 TACR1 (0.57) TACR3TACR1
SCHEMBL9699612 0.77 TACR3 (0.38) TACR3TACR1
SCHEMBL9699646 0.74 TACR1 (0.43) TACR3TACR1
SCHEMBL9539141 0.74 ITGB3 (0.46) TACR3TACR1NPY5RLMNA
SCHEMBL9539374 0.72 TACR3 (0.45) TACR3TACR1NPY5R
SCHEMBL4328760 0.72 BLM (0.57) OPRM1OPRD1OPRK1BLMLMNA
SCHEMBL31037745 0.72 LMNA (0.47) LMNATSHR

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 5 patents. 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
WO-1992004025-A1 AMINO ACID ANALOGS AS CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 WO claimed
US-6492531-B1 THE INVENTION CONCERNS CHOLECYSTOKININ (CCK) ANTAGONISTS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS. ESPECIALLY USEFUL ARE CCK.SUB.B ANTAGONISTS SUCH AS CI-988. WARNER-LAMBERT COMPANY 2002-12-10 US disclosed
US-5331006-A Cholecystokinin, antisecretory agents WARNER-LAMBERT COMPANY (US) 1994-07-19 US disclosed
US-5217957-A CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION WARNER-LAMBERT COMPANY (US) 1993-06-08 US disclosed