SCHEMBL10344362

SCHEMBL10344362

CC(N)=CC(=O)OCCN(Cc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 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
SCHEMBL10344360 1.00 CRHBP (0.43) CRHBPCRHR2MTNR1AMTNR1BTSHR
SCHEMBL3854469 0.84 SMN1; SMN2 (0.59) TSHRALDH1A1MAPTTDP1POLB
SCHEMBL3854475 0.84 SMN1; SMN2 (0.59) TSHRALDH1A1MAPTTDP1POLB
SCHEMBL9652432 0.82 TSHR (0.51) CRHBPCRHR2MTNR1AMTNR1BTSHR
SCHEMBL9434676 0.81 ALDH1A1 (0.41) MTNR1AMTNR1BALDH1A1MAPTTDP1
SCHEMBL9434686 0.81 ALDH1A1 (0.41) MTNR1AMTNR1BALDH1A1MAPTTDP1
SCHEMBL10923640 0.78 HCAR2 (0.59) TSHRALDH1A1MAPTTDP1PKM
SCHEMBL10344627 0.77 MTNR1A (0.47) CRHBPCRHR2MTNR1AMTNR1BTSHR
SCHEMBL9312727 0.77 CRHBP (0.46) CRHBPCRHR2MTNR1AMTNR1BTSHR
SCHEMBL11676179 0.75 SMN1; SMN2 (0.65) TSHRALDH1A1MAPTTDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230944-B1 DIHYDROPYRIDINE-5-PHOSPHONIC ACID CYCLIC PROPYLENE ESTER NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-02-07 EP disclosed
EP-0230944-A1 Dihydropyridine-5-phosphonic acid cyclic propylene ester NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1987-08-05 EP disclosed
WO-1987004439-A1 DIHYDROPYRIDINE-5-PHOSPHONIC ACID CYCLIC PROPYLENE ESTER NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1987-07-30 WO disclosed