SCHEMBL7386901

SCHEMBL7386901

CCCCCN(CCCCC)C(=O)C(C(=O)N1CCNC(C(=O)O)C1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.42

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
SCHEMBL7379352 0.77 TACR1 (0.49) TACR1
SCHEMBL7379357 0.77 TACR1 (0.49) TACR1
SCHEMBL29222775 0.66 MAPT (0.44)
SCHEMBL27799875 0.65 SIGMAR1 (0.58)
SCHEMBL28917549 0.65 SIGMAR1 (0.39) TACR1
SCHEMBL30451454 0.65 AGTR2 (0.58) TACR1
Acetic Acid SCHEMBL7386447 0.64 AGTR2 (0.54) TACR1
SCHEMBL334587 0.64 MAPT (0.40)
SCHEMBL4190042 0.64 ITGB3 (0.38)
SCHEMBL7958970 0.64 SIGMAR1 (0.42)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5348955-A Angiotensis II antagonists MERCK & CO., INC. (US) 1994-09-20 US disclosed
US-5292726-A N,N-diacylpiperazines MERCK & CO., INC. (US) 1994-03-08 US disclosed