SCHEMBL22809795

SCHEMBL22809795

O=C(NCc1cccc2ccccc12)c1cc2ccccc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
MAPK1 P28482 1/20 0.58
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
HSD17B10 Q99714 1/20 0.56
AKR1C3 P42330 1/20 0.55
HTR2C P28335 1/20 0.55
HDAC2 Q92769 3/20 0.54
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL7159718 0.87 MTNR1A (0.76) KDM4EALDH1A1GAAMAPK1MTNR1A
SCHEMBL6656620 0.84 POLB (0.59) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL6659424 0.84 KDM4E (0.60) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL2735969 0.83 CA12 (0.72) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL6661461 0.81 ROCK2 (0.59) KDM4EALDH1A1GAAMAPK1MTNR1A
SCHEMBL6662442 0.81 DRD2 (0.56) KDM4EALDH1A1GAAMAPK1MTNR1A
SCHEMBL6658034 0.80 SRC (0.81) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL18669175 0.80 KDM4E (0.60) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL6657027 0.80 HDAC2 (0.67) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL6656183 0.79 MTNR1A (0.57) KDM4EALDH1A1GAAMAPK1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204772-B1 METHODS FOR IDENTIFYING MODULATORS OF CALCIUM-SENSING RECEPTORS MARS INC (US) 2020-12-23 EP disclosed