SCHEMBL9025307

SCHEMBL9025307

COC(=O)CCCN1CCCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.82

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
SCHEMBL9025058 1.00 TACR1 (0.82) TACR1
SCHEMBL9025177 0.95 TACR1 (0.83) TACR1
SCHEMBL9025277 0.95 TACR1 (0.83) TACR1
SCHEMBL9024620 0.89 TACR1 (1.00) TACR1
SCHEMBL9024608 0.89 TACR1 (1.00) TACR1
SCHEMBL8539295 0.89 TACR1 (1.00) TACR1
SCHEMBL8541443 0.83 TACR1 (1.00) TACR1
SCHEMBL8541022 0.83 TACR1 (1.00) TACR1
SCHEMBL8541026 0.83 TACR1 (1.00) TACR1
SCHEMBL9026103 0.83 TACR1 (0.72) 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-0600952-B1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME (GB) 1996-04-17 EP claimed
WO-1993004040-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME LIMITED (GB) 1993-03-04 WO disclosed