SCHEMBL8807964

SCHEMBL8807964

CS(=O)(=O)[N+]1(NC(=O)C(COCc2ccccc2)Nc2c(Cl)cccc2Cl)CC2(CCNCC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.41

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
SCHEMBL8564480 0.90 TACR1 (0.51) TACR1
SCHEMBL8559555 0.90 TACR1 (0.40) TACR1
Hydrochloric Acid SCHEMBL8560679 0.90 TACR1 (0.50) TACR1
SCHEMBL8806614 0.89 TACR1 (0.42) TACR1
SCHEMBL8812887 0.89 TACR1 (0.42) TACR1
SCHEMBL8563009 0.88 TACR1 (0.51) TACR1
SCHEMBL8561114 0.88 TACR1 (0.40) TACR1
SCHEMBL8558335 0.88 TACR1 (0.53) TACR1
SCHEMBL8559848 0.88 TACR1 (0.40) TACR1
Hydrochloric Acid SCHEMBL8566329 0.87 TACR1 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775140-A1 SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1997-05-28 EP disclosed
WO-1996005203-A1 SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1996-02-22 WO disclosed