SCHEMBL20354515

SCHEMBL20354515

CC(C)OC(=O)N1CCC(Oc2cccc(N)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.59
CHRM2 P08172 1/20 0.47
PDE4B Q07343 1/20 0.45
OPRK1 P41145 1/20 0.43

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
SCHEMBL9013908 0.83 CHEK2 (0.48) OPRK1
SCHEMBL29796027 0.82 KDM1A (0.58) GPR119PDE4B
SCHEMBL520668 0.82 KDM1A (0.58) GPR119PDE4B
SCHEMBL3292130 0.81 OPRK1 (0.49) OPRK1
SCHEMBL4373488 0.80 GPR119 (0.54) GPR119CHRM2
Hydrochloric Acid SCHEMBL4373751 0.79 GPR119 (0.53) GPR119CHRM2
SCHEMBL30996477 0.79 P2RY12 (0.46) GPR119OPRK1
SCHEMBL30996476 0.79 P2RY12 (0.46) GPR119OPRK1
SCHEMBL2333100 0.78 GPR119 (0.78) GPR119CHRM2PDE4B
SCHEMBL2334301 0.78 GPR119 (0.68) GPR119CHRM2PDE4BOPRK1

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
WO-2018124001-A1 BMP-SIGNAL-INHIBITING COMPOUND 国立研究開発法人理化学研究所 2018-07-05 WO disclosed