SCHEMBL8480232

SCHEMBL8480232

CCC(=O)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2c[nH]c3ccccc23)C1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.66

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
SCHEMBL6100165 1.00 TACR1 (0.66) TACR1
SCHEMBL6099755 0.95 TACR1 (0.61) TACR1
SCHEMBL6098703 0.94 TACR1 (0.65) TACR1
SCHEMBL6098598 0.92 TACR1 (0.63) TACR1
SCHEMBL7825755 0.91 TACR1 (0.64) TACR1
SCHEMBL7815538 0.91 TACR1 (0.65) TACR1
SCHEMBL8482327 0.91 TACR1 (0.65) TACR1
SCHEMBL7824405 0.91 TACR1 (0.70) TACR1
SCHEMBL8836966 0.91 TACR1 (0.64) TACR1
SCHEMBL7822914 0.91 TACR1 (0.64) 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