SCHEMBL11173493

SCHEMBL11173493

CCOC(=O)C(=O)c1nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(N)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 3/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MAPK1 P28482 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CACNA2D1 P54289 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ CACNB1 Q02641 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ KCNH2 Q12809 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
SCHEMBL11165377 0.75 SMN1; SMN2 (0.47) ATMOPRD1SMN1; SMN2LMNANPSR1
SCHEMBL11197061 0.70 OPRD1 (0.46) ATMOPRD1SMN1; SMN2LMNANPSR1
SCHEMBL14825407 0.70 OPRD1 (0.55) ATMOPRD1SMN1; SMN2LMNANPSR1
SCHEMBL3391962 0.69 CACNA2D1 (0.61) ATMOPRD1SMN1; SMN2LMNANPSR1
SCHEMBL11172581 0.68 ATM (0.50) ATMOPRD1SMN1; SMN2LMNANPSR1
SCHEMBL9272210 0.67 CYP3A4 (0.48) ATMOPRD1SMN1; SMN2LMNANPSR1
Hydrochloric Acid SCHEMBL11162041 0.67 ATM (0.49) ATMOPRD1SMN1; SMN2LMNANPSR1
SCHEMBL14825846 0.67 OPRD1 (0.51) ATMOPRD1SMN1; SMN2LMNANPSR1
Hydrochloric Acid SCHEMBL9775427 0.67 LMNA (0.60) ATMOPRD1SMN1; SMN2LMNANPSR1
SCHEMBL14825403 0.66 OPRD1 (0.58) ATMOPRD1SMN1; SMN2LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0032058-B1 THIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-10-26 — — EP disclosed
EP-0032058-A1 Thiazole derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-07-15 — — EP disclosed
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