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SCHEMBL6957892

SCHEMBL6957892

O=C1CCC(CCC(O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 19/20 0.49
▸ TACR3 P29371 4/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ SLC6A4 P31645 1/20 0.39
▸ S1PR1 P21453 1/20 0.39

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
SCHEMBL8921070 0.85 TACR1 (0.62) TACR1KCNH2SLC6A4
SCHEMBL8922013 0.85 TACR1 (0.62) TACR1KCNH2SLC6A4
SCHEMBL8921078 0.85 TACR1 (0.62) TACR1KCNH2SLC6A4
Hydrochloric Acid SCHEMBL8923349 0.84 TACR1 (0.61) TACR1KCNH2SLC6A4
Hydrochloric Acid SCHEMBL9026828 0.84 TACR1 (0.61) TACR1KCNH2SLC6A4
SCHEMBL9218678 0.78 TACR1 (0.66) TACR1TACR3
SCHEMBL9023841 0.78 TACR1 (0.66) TACR1TACR3
SCHEMBL8920970 0.77 TACR1 (0.65) TACR1TACR3SLC6A4
SCHEMBL6483165 0.77 TACR1 (0.45) TACR1SLC6A4
SCHEMBL6494192 0.76 TACR1 (0.59) TACR1TACR3SLC6A4

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-1286978-A1 CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 — — EP disclosed
WO-2001087866-A1 CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 — — WO disclosed