SCHEMBL7823213

SCHEMBL7823213

CN1CCN(NC(=O)CN2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](Cc3c[nH]c4ccccc34)C2)CC1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.72

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
SCHEMBL8475585 1.00 TACR1 (0.72) TACR1
Hydrochloric Acid SCHEMBL7816010 0.98 TACR1 (0.71) TACR1
Hydrochloric Acid SCHEMBL8477802 0.98 TACR1 (0.71) TACR1
Fumaric Acid SCHEMBL8589963 0.96 TACR1 (0.67) TACR1
Fumaric Acid SCHEMBL8593234 0.96 TACR1 (0.67) TACR1
SCHEMBL7827930 0.93 TACR1 (0.67) TACR1
Hydrochloric Acid SCHEMBL6135682 0.91 TACR1 (0.68) TACR1
SCHEMBL6132880 0.91 TACR1 (0.64) TACR1
SCHEMBL7815254 0.89 TACR1 (0.74) TACR1
SCHEMBL8481037 0.89 TACR1 (0.74) 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 claimed
US-5670505-A TACHYKIKIN ANTAGONIST FOR RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US claimed
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
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