SCHEMBL21802546

SCHEMBL21802546

Cn1ncc2cc(C(c3ccc4c(cnn4C)c3)N3CCN(C(=O)O)CC3)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 1/20 0.68
▸ MGLL Q99685 1/20 0.68
▸ ABHD6 Q9BV23 1/20 0.68
▸ NR2E1 Q9Y466 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ CREBBP Q92793 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ FASN P49327 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TNKS O95271 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ KDM2B Q8NHM5 1/20 0.38

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
SCHEMBL31023771 0.84 PLA2G7 (0.73) PLA2G7MGLLABHD6NR2E1MAPK1
SCHEMBL15094172 0.84 PLA2G7 (0.73) PLA2G7MGLLABHD6NR2E1MAPK1
SCHEMBL15094707 0.81 ABHD6 (1.00) PLA2G7MGLLABHD6
SCHEMBL15266851 0.81 MGLL (0.66) PLA2G7MGLLABHD6NR2E1MAPK1
SCHEMBL15266976 0.80 PLA2G7 (0.58) PLA2G7MGLLABHD6MAPK1ALDH1A1
SCHEMBL15094816 0.79 PLA2G7 (0.55) PLA2G7MGLLABHD6KMT2AMEN1
SCHEMBL31023724 0.79 PLA2G7 (0.55) PLA2G7MGLLABHD6KMT2AMEN1
SCHEMBL31023712 0.79 MGLL (0.66) PLA2G7MGLLABHD6
SCHEMBL15265376 0.78 PLA2G7 (0.54) PLA2G7MGLLABHD6MAPK1CREBBP
SCHEMBL21802510 0.78 PLA2G7 (0.59) PLA2G7MGLLABHD6MAPK1CREBBP

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-2800565-B1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-03-25 — — EP claimed
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