SCHEMBL21390743

SCHEMBL21390743

CCN(c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.47
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
APAF1 O14727 1/20 0.40
CASP3 P42574 1/20 0.40
CASP6 P55212 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
AGTR1 P30556 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
MAOA P21397 1/20 0.38
BCL2 P10415 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL23776020 0.96 NR3C2 (0.46) NR3C2MAPTALDH1A1HPGDCRHBP
SCHEMBL13432686 0.94 NR3C2 (0.43) NR3C2MAPTALDH1A1HPGDCRHBP
SCHEMBL20160922 0.92 NR3C2 (0.53) NR3C2MAPTALDH1A1HPGDCRHBP
SCHEMBL18377018 0.92 NR3C2 (0.53) NR3C2MAPTALDH1A1HPGDCRHBP
SCHEMBL3368539 0.90 NR3C2 (0.55) NR3C2MAPTALDH1A1HPGDCRHBP
SCHEMBL9565100 0.90 NR3C2 (0.50) NR3C2MAPTALDH1A1HPGDCRHBP
SCHEMBL6932587 0.88 NR3C2 (0.52) NR3C2MAPTALDH1A1HPGDCRHBP
SCHEMBL29303446 0.86 HSD17B1 (0.42) NR3C2MAPTALDH1A1HPGDCRHBP
SCHEMBL20681739 0.86 NR3C2 (0.51) NR3C2MAPTALDH1A1HPGDCRHBP
SCHEMBL13370980 0.84 ESR1 (0.47) NR3C2MAPTCRHBPCRHR2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020225071-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-11-12 WO disclosed
WO-2019179909-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-09-26 WO disclosed