SCHEMBL7829075

SCHEMBL7829075

O=C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)NCC(=O)OCc1ccccc1

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
SCHEMBL7823739 0.93 TACR1 (0.71) TACR1
SCHEMBL7830997 0.91 TACR1 (0.70) TACR1
Hydrochloric Acid SCHEMBL8836927 0.89 TACR1 (0.68) TACR1
SCHEMBL7815261 0.88 TACR1 (0.69) TACR1
SCHEMBL6133266 0.88 TACR1 (0.60) TACR1
SCHEMBL7826751 0.87 TACR1 (0.65) TACR1
SCHEMBL7830616 0.85 TACR1 (0.67) TACR1
Hydrochloric Acid SCHEMBL7827119 0.85 TACR1 (0.69) TACR1
Hydrochloric Acid SCHEMBL8475602 0.85 TACR1 (0.69) TACR1
SCHEMBL8475617 0.85 TACR1 (0.80) 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-0655442-B1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 EP disclosed
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
EP-0655442-A1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-05-31 EP disclosed