SCHEMBL8893636

SCHEMBL8893636

C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.61
CCKBR P32239 1/20 0.56

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
SCHEMBL8893642 1.00 TACR1 (0.61) TACR1CCKBR
SCHEMBL8893856 0.92 TACR1 (0.58) TACR1CCKBR
SCHEMBL8893860 0.92 TACR1 (0.58) TACR1CCKBR
SCHEMBL14627507 0.89 TACR1 (0.74) TACR1
SCHEMBL7433288 0.89 TACR1 (0.74) TACR1
SCHEMBL9016095 0.89 TACR1 (0.74) TACR1
SCHEMBL6181504 0.84 CCKBR (0.53) TACR1CCKBR
SCHEMBL6181506 0.84 CCKBR (0.59) TACR1CCKBR
SCHEMBL9387624 0.80 MAPT (0.58) TACR1
SCHEMBL9387630 0.80 MAPT (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 4 patents. 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
EP-0547178-A4 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER LAMBERT CO (US) 1994-07-06 EP disclosed
EP-0547178-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1993-06-23 EP disclosed
WO-1992004045-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed