SCHEMBL9387549

SCHEMBL9387549

CC1=C(C(=O)OCCNC(=O)c2cccnc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCNC(=O)c2cccnc2)=C(C)N1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1F O60840 7/20 0.64
▸ CACNA1D Q01668 7/20 0.64
▸ CACNA1S Q13698 7/20 0.64
▸ CACNA1C Q13936 7/20 0.64
▸ ADORA3 P0DMS8 1/20 0.61
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ MAPT P10636 5/20 0.60
▸ CYP1A2 P05177 4/20 0.60
▸ CYP3A4 P08684 4/20 0.60
▸ CYP2C9 P11712 4/20 0.60
▸ CYP2C19 P33261 4/20 0.60
▸ LMNA P02545 3/20 0.60
▸ CYP2D6 P10635 2/20 0.60
▸ TSHR P16473 2/20 0.60
▸ NFKB1 P19838 2/20 0.60
▸ THPO P40225 2/20 0.60
▸ HIF1A Q16665 3/20 0.60
▸ POLB P06746 1/20 0.60
▸ MAPK1 P28482 1/20 0.60

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
Hydrochloric Acid SCHEMBL7758688 0.99 CACNA1F (0.62) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10666388 0.98 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7379582 0.98 MEN1 (0.65) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7104237 0.97 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7377596 0.97 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10668484 0.94 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7110929 0.94 CACNA1F (0.59) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7110931 0.94 CACNA1F (0.59) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL7376947 0.93 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7375431 0.92 MEN1 (0.56) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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
JP-4299994-A — — None — — JP disclosed
JP-5084089-A — — None — — JP disclosed
WO-1994004701-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 1,4-DIHYDROPYRIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 1994-03-03 — — WO disclosed
JP-H0584089-A PRODUCTION OF OPTICALLY ACTIVE 1, 4-DIHYDROPYRIDINE COMPOUND TAISHO PHARMACEUT CO LTD 1993-04-06 — — JP disclosed
JP-H04299994-A PRODUCTION OF OPTICALLY ACTIVE 1,4-DIHYDROPYRIDINE COMPOUND TAISHO PHARMACEUT CO LTD 1992-10-23 — — JP disclosed
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