SCHEMBL9568016

SCHEMBL9568016

CN(CC1CCc2ccccc2C1)C(=O)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.44
TDP1 Q9NUW8 1/20 0.43
OPRD1 P41143 1/20 0.43
MCHR1 Q99705 6/20 0.42
GBA1 P04062 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
PTGIR P43119 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNA1C Q13936 1/20 0.38
USP30 Q70CQ3 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
SCHEMBL8858408 0.81 PTGIR (0.63) PTGIR
SCHEMBL9567995 0.75 MCHR1 (0.40) MCHR1USP30
SCHEMBL9567973 0.74 HPGD (0.53) TACR1MTNR1AMTNR1B
SCHEMBL5633718 0.73 CACNA2D1 (0.47) TACR1TDP1CACNA2D1CACNA1BCACNB1
SCHEMBL1950916 0.73 MCHR1 (0.50) MCHR1
SCHEMBL7292707 0.69 DGAT1 (0.58) TDP1MTNR1AMTNR1B
SCHEMBL30612421 0.69 DGAT1 (0.58) TDP1MTNR1AMTNR1B
SCHEMBL7304447 0.69 DGAT1 (0.58) TDP1MTNR1AMTNR1B
SCHEMBL3406500 0.69 DGAT1 (0.58) TDP1MTNR1AMTNR1B
SCHEMBL13323480 0.69 MTNR1A (0.44) OPRD1MCHR1MTNR1AMTNR1B

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