SCHEMBL7104237

SCHEMBL7104237

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

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1F O60840 7/20 0.60
▸ CACNA1D Q01668 7/20 0.60
▸ CACNA1S Q13698 7/20 0.60
▸ CACNA1C Q13936 7/20 0.60
▸ MEN1 O00255 5/20 0.59
▸ KMT2A Q03164 5/20 0.59
▸ MAPT P10636 5/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ ADORA3 P0DMS8 1/20 0.58
▸ CYP1A2 P05177 4/20 0.57
▸ CYP3A4 P08684 4/20 0.57
▸ CYP2C9 P11712 4/20 0.57
▸ CYP2C19 P33261 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ CYP2D6 P10635 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ NFKB1 P19838 2/20 0.57
▸ THPO P40225 2/20 0.57
▸ CACNA1B Q00975 1/20 0.57
▸ HIF1A Q16665 3/20 0.56

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
SCHEMBL7377596 1.00 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL9387549 0.97 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
Hydrochloric Acid SCHEMBL7758688 0.96 CACNA1F (0.62) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL7379582 0.94 MEN1 (0.65) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL10666388 0.94 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL10668484 0.92 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL7110929 0.91 CACNA1F (0.59) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL7110931 0.91 CACNA1F (0.59) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
Hydrochloric Acid SCHEMBL7376947 0.90 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL7375431 0.89 MEN1 (0.56) CACNA1FCACNA1DCACNA1SCACNA1CMEN1

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
EP-0846759-B1 GENE ENCODING PROTEIN HAVING ASYMMETRIC HYDROLASE ACTIVITY ON 4-SUBSTITUTED-1,4-DIHYDROPYRIDINE DERIVATIVES AND EXPRESSION PRODUCT OF THE SAME MERCIAN CORP (JP) 2003-10-01 — — EP disclosed
EP-0657429-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 1,4-DIHYDROPYRIDINE COMPOUNDS MERCIAN CORP (JP) 2001-04-11 — — EP disclosed
US-5684580-A Hydrocarbon analysis and control by raman spectroscopy ASHLAND INC. (US) 1997-11-04 — — US disclosed
US-5635395-A Optically active 1,4-dihydropyridine compounds and the microbial process for the stereoselection thereof MERCIAN CORPORATION (JP) 1997-06-03 — — US disclosed
EP-0657429-A1 OPTICALLY ACTIVE 1,4-DIHYDROPYRIDINE COMPOUND AND PROCESS FOR PRODUCING THE SAME MERCIAN CORPORATION (JP) 1995-06-14 — — EP disclosed
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