SCHEMBL7830077

SCHEMBL7830077

O=C1CN(Cc2ccccc2)C(=O)[C@@H](Cc2csc3ccccc23)N1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 5/20 0.56
▸ HDAC6 Q9UBN7 5/20 0.53
▸ HDAC1 Q13547 4/20 0.53
▸ HDAC8 Q9BY41 4/20 0.53
▸ HDAC4 P56524 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ TACR1 P25103 1/20 0.49
▸ EPHX2 P34913 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ CHRNA7 P36544 1/20 0.39
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL874099 0.81 OPRK1 (0.65) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL7468758 0.81 OPRK1 (0.65) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL874098 0.81 OPRK1 (0.65) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL877776 0.80 HDAC6 (0.73) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL8452072 0.80 HDAC6 (0.73) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL876552 0.80 HDAC6 (0.73) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL7822959 0.79 HDAC1 (0.75) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL4287307 0.79 HDAC1 (0.75) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL4289779 0.78 OPRK1 (0.64) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL873897 0.78 OPRK1 (0.71) OPRK1HDAC6HDAC1HDAC8HDAC4

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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