SCHEMBL9338635

SCHEMBL9338635

CCCCCCCCC(C)OC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(C)O

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.55
TACR3 P29371 1/20 0.55

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
SCHEMBL9540664 0.90 TACR1 (0.55) TACR1TACR3
SCHEMBL9540669 0.90 TACR1 (0.55) TACR1TACR3
SCHEMBL9538034 0.83 TACR3 (0.54) TACR1TACR3
SCHEMBL9519964 0.82 TACR1 (0.48) TACR1TACR3
SCHEMBL9538112 0.75 TACR3 (0.45) TACR1TACR3
SCHEMBL9540182 0.74 KDM4E (0.41) TACR1TACR3
SCHEMBL9538153 0.74 CCKAR (0.53)
SCHEMBL9538882 0.72 GABRA1 (0.41) TACR1TACR3
SCHEMBL16694904 0.72 TACR1 (0.61) TACR1TACR3
SCHEMBL9338629 0.72 CCKBR (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594692-A1 CHOLECYSTOKININ ANTAGONISTS USEFUL IN THE TREATMENT OF PANIC ATTACKS WARNER-LAMBERT COMPANY (US) 1994-05-04 EP disclosed