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Sugi Predict / Compounds / SCHEMBL8913633

SCHEMBL8913633

SCHEMBL8913633

CCCCCN(CCCCC)C(=O)C1CCN(C(=O)N(c2ccccc2)c2cccc(Cl)c2)C(C(=O)NCCN(CC(N)=O)C(=O)OCc2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 19/20 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
SCHEMBL8913784 0.95 TACR1 (0.90) TACR1
SCHEMBL7417139 0.89 TACR1 (0.80) TACR1
SCHEMBL7420605 0.84 TACR1 (0.73) TACR1
SCHEMBL7415599 0.84 TACR1 (0.73) TACR1
SCHEMBL8913780 0.83 TACR1 (1.00) TACR1
SCHEMBL7416356 0.82 TACR1 (0.70) TACR1
SCHEMBL7421855 0.82 TACR1 (0.70) TACR1
SCHEMBL7421702 0.81 TACR1 (0.69) TACR1
SCHEMBL8915332 0.80 TACR1 (0.84) TACR1
SCHEMBL8916033 0.80 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