SCHEMBL19709261

SCHEMBL19709261

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

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.58
▸ DRD2 P14416 1/20 0.56
▸ CASR P41180 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TAS1R3 Q7RTX0 1/20 0.54
▸ TAS1R1 Q7RTX1 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ EGFR P00533 1/20 0.52
▸ PIK3CA P42336 1/20 0.52

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
SCHEMBL2703655 1.00 PDE2A (0.58) PDE2ADRD2CASRGAALMNA
SCHEMBL5827084 1.00 PDE2A (0.58) PDE2ADRD2CASRGAALMNA
SCHEMBL10039780 0.89 PDE2A (0.55) PDE2AGAALMNA
SCHEMBL10039649 0.88 PYGL (0.53) PDE2AGAALMNA
SCHEMBL10039604 0.86 MEN1 (0.56) PDE2AGAALMNAKDM4EALDH1A1
SCHEMBL10039653 0.86 DRD2 (0.58) DRD2GAALMNATAS1R3TAS1R1
SCHEMBL10039781 0.85 PDE2A (0.49) PDE2AGAALMNA
SCHEMBL10039635 0.85 DRD2 (0.52) DRD2GAALMNATAS1R3TAS1R1
SCHEMBL10039633 0.85 KMT2A (0.72) PDE2AGAALMNAKDM4E
SCHEMBL19709262 0.85 KDM4E (0.56) DRD2GAALMNATAS1R3TAS1R1

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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