SCHEMBL20406684

SCHEMBL20406684

CCc1ccccc1-c1cccnc1Oc1cnc(N2CCOCC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 8/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ PDE10A Q9Y233 3/20 0.39
▸ ELANE P08246 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 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
SCHEMBL20406682 0.83 STK4 (0.47) CNR2PDE10APIK3CAMTOR
SCHEMBL20406479 0.80 MEN1 (0.35) ELANE
SCHEMBL20406637 0.71 MAPK8 (0.35) ELANE
SCHEMBL3880853 0.71 ALDH1A1 (0.50) PIK3CAMTOR
SCHEMBL18661502 0.70 PDE10A (0.39) PDE10A
SCHEMBL20406447 0.69 ACACB (0.46) —
SCHEMBL13409587 0.69 CYP1A2 (0.56) ELANEPOLBPIK3CA
SCHEMBL10414486 0.68 SMN1; SMN2 (0.58) POLB
SCHEMBL8116304 0.68 BTK (0.49) PDE10AELANE
SCHEMBL20406475 0.67 KMT2A (0.40) PDE10A

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-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 — — EP disclosed
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