SCHEMBL27792883

SCHEMBL27792883

CC(C)(C)OC(=O)c1c[nH]c2cccc(-c3nc(CNCCC(c4ccccc4)c4ccccc4)co3)c12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CASR P41180 5/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ BCHE P06276 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ DRD2 P14416 2/20 0.30
▸ DRD4 P21917 2/20 0.30
▸ DRD3 P35462 2/20 0.30
▸ TACR1 P25103 1/20 0.30
▸ SSTR3 P32745 1/20 0.30

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
SCHEMBL27771699 0.82 NR4A2 (0.37) NR4A2CYP2D6
SCHEMBL27792887 0.76 NR4A2 (0.45) NR4A2MEN1KMT2A
SCHEMBL3165002 0.69 PDCD1 (0.37) CNR1CNR2CASRMEN1KMT2A
SCHEMBL27909433 0.67 NR4A2 (0.46) NR4A2MEN1KMT2A
SCHEMBL1759590 0.63 NR4A2 (0.47) NR4A2MEN1KMT2A
SCHEMBL1760252 0.63 NR4A2 (0.47) NR4A2MEN1KMT2A
SCHEMBL5592328 0.62 NR4A2 (0.49) NR4A2MEN1KMT2A
SCHEMBL28046327 0.62 NR4A2 (0.49) NR4A2
SCHEMBL3995062 0.62 NR4A2 (0.72) NR4A2SLC6A4KCNH2
SCHEMBL27771709 0.62 NR4A2 (0.49) NR4A2MEN1KMT2A

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
CN-101636386-A Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2010-01-27 — — CN disclosed
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