SCHEMBL3383808

SCHEMBL3383808

Cc1c(N2CCN(C)CC2)c2cc(NC(=O)Oc3ccccc3)ccc2n1Cc1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PLA2G2A P14555 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 4/20 0.41
▸ TP53 P04637 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDR P35968 2/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ LCK P06239 1/20 0.38
▸ HCK P08631 1/20 0.38
▸ SRC P12931 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
SCHEMBL4316805 0.78 GAA (0.46) GAANPSR1NPC1RAB9APOLB
SCHEMBL3386016 0.71 CACNB4 (0.46) GAAPOLBALDH1A1KDM4ECYP1A2
SCHEMBL25802168 0.71 GAA (0.57) GAANPSR1NPC1RAB9APOLB
SCHEMBL3386168 0.70 POLB (0.48) POLBMAPTALDH1A1KDM4EKDR
SCHEMBL3835741 0.69 GAA (1.00) GAANPSR1NPC1RAB9AMAPT
SCHEMBL4182812 0.68 POLB (0.48) POLBMAPTALDH1A1KDM4ECYP1A2
SCHEMBL4178385 0.68 F2R (0.50) GAAPOLBMAPTALDH1A1KDM4E
SCHEMBL23240068 0.68 GAA (0.52) GAANPSR1NPC1RAB9APOLB
SCHEMBL29716288 0.68 GAA (0.52) GAANPSR1NPC1RAB9APOLB
SCHEMBL25802440 0.67 GAA (0.57) GAANPSR1MAPTALDH1A1KMT2A

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
EP-1806141-B1 PAR-2 ANTAGONISTS KOWA CO (JP) 2010-12-01 — — EP disclosed
EP-1806141-A1 PAR-2 ANTAGONISTS Kowa Company, Ltd. (JP) 2007-07-11 — — EP disclosed
Send feedback