SCHEMBL19709262

SCHEMBL19709262

N[C@H](NC(=O)c1cc2ccccc2[nH]1)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ DRD2 P14416 1/20 0.53
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ EGFR P00533 5/20 0.47
▸ PIK3CA P42336 5/20 0.47
▸ MAPT P10636 1/20 0.47
▸ DAO P14920 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SRD5A2 P31213 1/20 0.47
▸ PYGL P06737 1/20 0.46

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
SCHEMBL5827084 0.85 PDE2A (0.58) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL19709261 0.85 PDE2A (0.58) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL2703655 0.85 PDE2A (0.58) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL10039780 0.75 PDE2A (0.55) GAALMNA
SCHEMBL13753384 0.75 DRD2 (0.68) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL29949076 0.75 DRD2 (0.68) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL10039649 0.74 PYGL (0.53) GAALMNAFLT3PYGL
SCHEMBL22809795 0.74 KDM4E (0.58) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL10039653 0.73 DRD2 (0.58) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL29580477 0.73 KDM4E (1.00) KDM4EALDH1A1GAAMAPK1DRD2

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
US-10775375-B2 Methods for identifying modulators of calcium-sensing receptors MARS, INCORPORATED (US) 2020-09-15 — — US disclosed
US-20190324031-A1 METHODS FOR IDENTIFYING MODULATORS OF CALCIUM-SENSING RECEPTORS MARS, INCORPORATED (US) 2019-10-24 — — US disclosed
US-10393740-B2 Methods for identifying modulators of calcium-sensing receptors MARS, INCORPORATED (US) 2019-08-27 — — US disclosed
US-20170356907-A1 METHODS FOR IDENTIFYING MODULATORS OF CALCIUM-SENSING RECEPTORS MARS, INCORPORATED (US) 2017-12-14 — — US disclosed
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