SCHEMBL6994101

SCHEMBL6994101

C=C[C@@H]1CCO[C@H](OC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.47

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
SCHEMBL6990518 1.00 TACR1 (0.47) TACR1
SCHEMBL6990250 1.00 TACR1 (0.47) TACR1
SCHEMBL5412788 0.91 TACR1 (0.56) TACR1
SCHEMBL5413408 0.91 TACR1 (0.56) TACR1
SCHEMBL4693187 0.91 TACR1 (0.56) TACR1
SCHEMBL5412707 0.91 TACR1 (0.56) TACR1
SCHEMBL6435565 0.91 TACR1 (0.56) TACR1
SCHEMBL6615409 0.91 TACR1 (0.56) TACR1
SCHEMBL6992545 0.90 TACR1 (0.44) TACR1
SCHEMBL6994074 0.90 TACR1 (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165540-B1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2003-08-13 EP claimed
US-6458830-B1 THE COMPOUNDS ARE OF PARTICULAR USE IN THE TREATMENT OR PREVENTION OF DEPRESSION, ANXIETY, PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA. MERCK SHARP & DOHME LTD. 2002-10-01 US claimed
EP-1165540-B1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2003-08-13 EP disclosed
US-6458830-B1 THE COMPOUNDS ARE OF PARTICULAR USE IN THE TREATMENT OR PREVENTION OF DEPRESSION, ANXIETY, PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA. MERCK SHARP & DOHME LTD. 2002-10-01 US disclosed