SCHEMBL9733953

SCHEMBL9733953

C#Cc1cccc(C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OCC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.70
HIF1A Q16665 5/20 0.66
CYP2C9 P11712 5/20 0.66
MEN1 O00255 4/20 0.66
CYP1A2 P05177 4/20 0.66
CYP3A4 P08684 4/20 0.66
CYP2C19 P33261 4/20 0.66
KMT2A Q03164 4/20 0.66
MAPT P10636 3/20 0.66
LMNA P02545 2/20 0.66
CYP2D6 P10635 2/20 0.66
TSHR P16473 2/20 0.66
NFKB1 P19838 2/20 0.66
THPO P40225 2/20 0.66
POLB P06746 1/20 0.66
MAPK1 P28482 1/20 0.66
GPR55 Q9Y2T6 1/20 0.66
CACNA1F O60840 7/20 0.66
CACNA1D Q01668 7/20 0.66
CACNA1S Q13698 7/20 0.66

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
SCHEMBL9732179 0.95 CACNA1F (0.63) ADORA3HIF1ACYP2C9MEN1CYP1A2
SCHEMBL9849848 0.94 ADORA3 (0.62) ADORA3HIF1ACYP2C9MEN1CYP1A2
SCHEMBL9732409 0.93 CACNA1F (0.64) ADORA3HIF1ACYP2C9MEN1CYP1A2
SCHEMBL9732861 0.91 ADORA3 (0.59) ADORA3HIF1ACYP2C9MEN1CYP1A2
SCHEMBL9732325 0.90 CACNA1F (0.61) ADORA3HIF1ACYP2C9MEN1CYP1A2
SCHEMBL7156628 0.90 CACNA1F (0.80) ADORA3HIF1ACYP2C9MEN1CYP1A2
SCHEMBL9734505 0.89 CACNA1F (0.57) ADORA3HIF1ACYP2C9MEN1CYP1A2
SCHEMBL9734218 0.89 CACNA1F (0.60) ADORA3HIF1ACYP2C9MEN1CYP1A2
SCHEMBL9734452 0.88 CACNA1F (0.59) ADORA3HIF1ACYP2C9MEN1CYP1A2
SCHEMBL9732316 0.88 CACNA1F (0.55) ADORA3HIF1ACYP2C9MEN1CYP1A2

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
JP-3157369-A None JP disclosed
US-5158963-A Cognition activators; improve brain function KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-10-27 US disclosed
JP-H03157369-A 1,4-DIHYDROPYRIDINE DERIVATIVE, PRODUCTION THEREOF AND CEREBRAL FUNCTION IMPROVER COMPRISING SAME DERIVATIVE AS ACTIVE INGREDIENT KAKEN PHARMACEUT CO LTD 1991-07-05 JP disclosed
EP-0411549-A1 1,4-dihydropyridine derivative, process for preparing the same and pharmaceutical composition containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1991-02-06 EP disclosed