SCHEMBL9568069

SCHEMBL9568069

CNC(=O)C(c1ccccc1)(c1ccccc1)C1CCc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
GHSR Q92847 1/20 0.38
NPY5R Q15761 1/20 0.37
PLAU P00749 1/20 0.36
GRIN2B Q13224 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ANPEP P15144 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
AKR1C3 P42330 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL9567951 0.85 MTNR1A (0.42) MTNR1AMTNR1BGHSRNPY5RPLAU
SCHEMBL9049212 0.79 PTGIR (0.54)
SCHEMBL9567994 0.78 PDPK1 (0.43) MTNR1AMTNR1BMAOAMAOB
SCHEMBL9568035 0.73 HTT (0.45)
SCHEMBL10062425 0.70 PLAU (0.46) MTNR1AMTNR1BGHSRPLAUGRIN2B
SCHEMBL25900511 0.69 PLAU (0.44) MTNR1AMTNR1BGHSRPLAUGRIN2B
SCHEMBL14815575 0.69 ANPEP (0.49) MTNR1AMTNR1BPLAUGRIN2BANPEP
SCHEMBL8569917 0.68 GHSR (0.57) MTNR1AMTNR1BGHSRNPY5RPLAU
SCHEMBL19393068 0.68 PLAU (0.50) MTNR1AMTNR1BPLAUGRIN2BCA1
SCHEMBL4619902 0.66 KEAP1 (0.68) KEAP1NFE2L2

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-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed