SCHEMBL8916033

SCHEMBL8916033

CCCCCN(CCCCC)C(=O)[C@@H]1CCN(C(=O)N(c2ccccc2)c2cccc(Cl)c2)[C@@H](C(=O)O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 1.00

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
SCHEMBL8916030 1.00 TACR1 (1.00) TACR1
SCHEMBL8914640 0.93 TACR1 (1.00) TACR1
SCHEMBL8914637 0.93 TACR1 (1.00) TACR1
SCHEMBL8915332 0.91 TACR1 (0.84) TACR1
SCHEMBL7383952 0.84 TACR1 (0.83) TACR1
SCHEMBL3514054 0.84 TACR1 (0.83) TACR1
SCHEMBL8913531 0.83 TACR1 (0.82) TACR1
SCHEMBL7932680 0.81 TACR1 (0.80) TACR1
SCHEMBL7932679 0.81 TACR1 (0.80) TACR1
SCHEMBL8915244 0.81 TACR1 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995022525-A1 N-ACYLPIPERIDINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1995-08-24 WO claimed
US-5610165-A N-acylpiperidine tachykinin antagonists MERCK & CO., INC. (US) 1997-03-11 US disclosed
WO-1995022525-A1 N-ACYLPIPERIDINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1995-08-24 WO disclosed