SCHEMBL7292068

SCHEMBL7292068

COc1ccc(OCC(O)CNC(C)(C)C)c(C2Sc3ccccc3NC2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ ADRB2 P07550 5/20 0.45
▸ ADRB1 P08588 4/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ MEN1 O00255 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
SCHEMBL7281969 0.78 MAPT (0.43) MEN1KMT2AMAPT
SCHEMBL7288844 0.75 MAPT (0.41) MEN1KMT2AMAPT
SCHEMBL7280870 0.75 PTPN1 (0.42) MEN1KMT2AMAPT
SCHEMBL7282106 0.74 SLC2A1 (0.47) USP2MEN1KMT2AMAPTALOX15
Hydrochloric Acid SCHEMBL9748563 0.69 CYP3A4 (0.44) MAPT
Fumaric Acid SCHEMBL9747735 0.69 CYP3A4 (0.44) KCNH2MEN1KMT2AMAPT
Fumaric Acid SCHEMBL9747747 0.69 CYP3A4 (0.44) KCNH2MEN1KMT2AMAPT
SCHEMBL9410168 0.69 MEN1 (0.68) CYP2D6ADRB2ADRB1MEN1KMT2A
Hydrochloric Acid SCHEMBL9224643 0.69 MEN1 (0.67) CYP2D6ADRB2MEN1KMT2AMAPT
SCHEMBL10592679 0.68 CYP2D6 (0.58) HTR1ACYP2D6ADRA2ASLC6A2SLC6A4

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
US-4584300-A Platelet anti-aggregative- and calcium antagonistic -1,4-benzothiazin-3-one derivatives, compositions, and methods of use therefor SANTEN PHARMACEUTICAL CO., LTD. (JP) 1986-04-22 — — US claimed
EP-0116368-A1 Benzothiazine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-08-22 — — EP claimed
US-4584300-A Platelet anti-aggregative- and calcium antagonistic -1,4-benzothiazin-3-one derivatives, compositions, and methods of use therefor SANTEN PHARMACEUTICAL CO., LTD. (JP) 1986-04-22 — — US disclosed
EP-0116368-A1 Benzothiazine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-08-22 — — EP disclosed
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