SCHEMBL7824775

SCHEMBL7824775

CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.48
▸ CTSB P07858 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ PTPN1 P18031 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ MME P08473 2/20 0.41
▸ ACE P12821 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ MC4R P32245 2/20 0.41
▸ MC5R P33032 2/20 0.41
▸ MC3R P41968 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40

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
SCHEMBL8483052 1.00 GHSR (0.48) GHSRCTSBCTSSCTSKPTPN1
SCHEMBL8472422 0.88 ALDH1A1 (0.48) ACEALDH1A1LMNAPOLBHSD17B10
SCHEMBL8472423 0.88 ALDH1A1 (0.48) ACEALDH1A1LMNAPOLBHSD17B10
SCHEMBL18359864 0.88 ALDH1A1 (0.48) ACEALDH1A1LMNAPOLBHSD17B10
SCHEMBL7828208 0.87 CTSB (0.48) GHSRCTSBCTSSCTSKPTPN1
SCHEMBL27432907 0.86 GHSR (0.46) GHSRCTSBCTSSCTSKPTPN1
SCHEMBL5138639 0.85 F7 (0.52) CTSBCTSSCTSKPTPN1MME
SCHEMBL31407327 0.85 CTSB (0.49) GHSRCTSBCTSSCTSKPTPN1
SCHEMBL29624575 0.85 CTSB (0.49) GHSRCTSBCTSSCTSKPTPN1
SCHEMBL3266674 0.85 CTSB (0.49) GHSRCTSBCTSSCTSKPTPN1

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
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