SCHEMBL7828222

SCHEMBL7828222

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(Cc2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.71

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
SCHEMBL7827040 1.00 TACR1 (0.71) TACR1
Hydrochloric Acid SCHEMBL7826462 0.99 TACR1 (0.70) TACR1
SCHEMBL7561522 0.95 TACR1 (0.67) TACR1
Hydrochloric Acid SCHEMBL8479828 0.94 TACR1 (0.66) TACR1
SCHEMBL7826404 0.93 TACR1 (0.67) TACR1
SCHEMBL7815987 0.93 TACR1 (0.66) TACR1
SCHEMBL7463674 0.93 TACR1 (0.71) TACR1
Hydrochloric Acid SCHEMBL8486228 0.92 TACR1 (0.65) TACR1
SCHEMBL5363430 0.92 TACR1 (0.68) TACR1
Hydrochloric Acid SCHEMBL7471553 0.92 TACR1 (0.70) 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 6 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
EP-0846116-A1 1-BENZOYL-2-(INDOLYL-3-ALKYL)-PIPERAZINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-10 EP disclosed
US-5670505-A TACHYKIKIN ANTAGONIST FOR RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
WO-1996037489-A1 1-BENZOYL-2-(INDOLYL-3-ALKYL)-PIPERAZINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-28 WO disclosed
EP-0655442-A1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-05-31 EP disclosed