SCHEMBL8486405

SCHEMBL8486405

C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1ccccc1)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.65

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
SCHEMBL8190320 1.00 TACR1 (0.65) TACR1
SCHEMBL9016095 0.86 TACR1 (0.74) TACR1
SCHEMBL14627507 0.86 TACR1 (0.74) TACR1
SCHEMBL7433288 0.86 TACR1 (0.74) TACR1
SCHEMBL8200372 0.83 TACR1 (0.57) TACR1
SCHEMBL8200385 0.79 TACR1 (0.65) TACR1
SCHEMBL8893860 0.78 TACR1 (0.58) TACR1
SCHEMBL8893856 0.78 TACR1 (0.58) TACR1
SCHEMBL8189477 0.77 TACR1 (0.88) TACR1
SCHEMBL8189473 0.77 TACR1 (0.88) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981755-A Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 1999-11-09 US disclosed
US-5856354-A RESPIRATORY SYSTEM DISORDERS, ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL DISORDERS, VISION DEFECTS, ANTIALLERGENS,PAIN, NERVOUS SYSTEM DISORDERS, HEADACHES WARNER-LAMBERT COMPANY (US) 1999-01-05 US disclosed
US-5716979-A NONPEPTIDES, UNIQUE IN ALKYLATION/SUBSTITUTION PATTERN ALONG THEIR BACKBONE, USEFUL FOR TREATING DISORDERS SUCH AS RESPIRATORY, INFLAMMATORY, GASTROINTESTINAL, OPHTHALMIC, ALLERGIES, PAIN, VASCULAR, MIGRANE, ARTHRITIS AND BRAIN WARNER-LAMBERT COMPANY (US) 1998-02-10 US disclosed
US-5594022-A CARBAMATES WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
EP-0655055-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-05-31 EP disclosed