SCHEMBL8480834

SCHEMBL8480834

O=C(O)CCCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2c[nH]c3ccccc23)C1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.69

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
SCHEMBL7815070 1.00 TACR1 (0.69) TACR1
Hydrochloric Acid SCHEMBL7822952 0.97 TACR1 (0.68) TACR1
Hydrochloric Acid SCHEMBL7822713 0.93 TACR1 (0.69) TACR1
SCHEMBL7553568 0.92 TACR1 (0.70) TACR1
SCHEMBL6132880 0.91 TACR1 (0.64) TACR1
SCHEMBL8478098 0.91 TACR1 (0.67) TACR1
SCHEMBL7830679 0.91 TACR1 (0.67) TACR1
SCHEMBL7817201 0.91 TACR1 (0.71) TACR1
Hydrochloric Acid SCHEMBL8480077 0.90 TACR1 (0.66) TACR1
Hydrochloric Acid SCHEMBL7826565 0.90 TACR1 (0.68) 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
US-5883098-A USED AS TACHYKININ ANTAGONISTS IN THE TREATMENT OF RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND INFLAMMATORY DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 US disclosed
US-5670505-A TACHYKIKIN ANTAGONIST FOR RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed