SCHEMBL7823708

SCHEMBL7823708

Cc1cc(C)cc(C(=O)N2CCN(CC(=O)OCc3ccccc3)C[C@H]2Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.57
ERAP2 Q6P179 1/20 0.49

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 0.88 TACR1 (0.71) TACR1
SCHEMBL7824174 0.88 TACR1 (0.61) TACR1ERAP2
SCHEMBL7829988 0.87 ERAP2 (0.62) TACR1ERAP2
SCHEMBL7829857 0.86 TACR1 (0.60) TACR1
SCHEMBL7829075 0.81 TACR1 (0.66) TACR1
SCHEMBL7826751 0.80 TACR1 (0.65) TACR1
SCHEMBL7827819 0.78 TACR1 (0.80) TACR1
SCHEMBL8475617 0.78 TACR1 (0.80) TACR1
SCHEMBL7826625 0.78 ERAP2 (0.68) TACR1ERAP2
SCHEMBL27346673 0.78 ERAP2 (0.68) TACR1ERAP2

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