SCHEMBL7417947

SCHEMBL7417947

COc1ccccc1SCC(=O)Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.55
▸ MTNR1B P49286 1/20 0.55
▸ PTGS2 P35354 6/20 0.44
▸ POLB P06746 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ HTT P42858 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ CTSD P07339 1/20 0.41
▸ TSHR P16473 2/20 0.41

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
SCHEMBL7419329 0.84 MTNR1A (0.56) MTNR1AMTNR1BPTGS2POLBHSD17B10
SCHEMBL806075 0.84 MTNR1A (0.60) MTNR1AMTNR1BPTGS2POLBHSD17B10
SCHEMBL7594276 0.79 MTNR1A (0.51) MTNR1AMTNR1BPTGS2POLBHSD17B10
SCHEMBL11869892 0.79 MTNR1A (0.55) MTNR1AMTNR1BPOLBHSD17B10SMN1; SMN2
SCHEMBL7422929 0.79 GLA (0.56) MTNR1AMTNR1BPOLBHSD17B10HTT
SCHEMBL19403380 0.78 MTNR1A (0.50) MTNR1AMTNR1BPTGS2POLBHSD17B10
SCHEMBL9661198 0.77 HSD17B10 (0.74) POLBHSD17B10SMN1; SMN2KDM4EALDH1A1
SCHEMBL7223998 0.77 NOTUM (0.49) POLBHSD17B10SMN1; SMN2KDM4EALDH1A1
SCHEMBL11692061 0.77 MTNR1A (0.47) MTNR1AMTNR1BPOLBHSD17B10SMN1; SMN2
SCHEMBL7769539 0.76 NPC1 (0.71) POLBSMN1; SMN2HTTKDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080768-A USEFUL IN THE TREATMENT OF ARTERIAL HYPERTENSION AND HEART FAILURE, RENAL INSUFFICIENCY, PERIPHERAL ARTERIOPATHIES AND CEREBROVASCULAR INSUFFICIENCIES ZAMBON GROUP S.P.A. (IT) 2000-06-27 — — US disclosed
US-5747513-A HYPOTENSIVE AGENTS, HEART FAILURE AND CEREBROVASCULAR INSUFFICIENCY ZAMBON GROUP, S.P.A. (IT) 1998-05-05 — — US disclosed
EP-0719252-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 1998-02-18 — — EP disclosed
EP-0719252-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1996-07-03 — — EP disclosed
WO-1995007885-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1995-03-23 — — WO disclosed
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