SCHEMBL12893386

SCHEMBL12893386

CC(=O)CN1Cc2ccccc2C[C@H](N)C1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ AADAT Q8N5Z0 6/20 0.47
▸ GOT1 P17174 1/20 0.47
▸ KYAT1 Q16773 1/20 0.47
▸ KYAT3 Q6YP21 1/20 0.47
▸ ANPEP P15144 1/20 0.44
▸ ACE P12821 3/20 0.41
▸ MME P08473 1/20 0.41
▸ TACR1 P25103 2/20 0.41
▸ NOTUM Q6P988 1/20 0.40

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
SCHEMBL30320121 0.87 ACE (0.53) OPRM1OPRD1AADATGOT1KYAT1
SCHEMBL3870683 0.87 ACE (0.53) OPRM1OPRD1AADATGOT1KYAT1
SCHEMBL199254 0.87 ACE (0.53) OPRM1OPRD1AADATGOT1KYAT1
SCHEMBL4738589 0.82 ANPEP (0.49) OPRM1OPRD1AADATGOT1KYAT1
SCHEMBL7443272 0.77 HRH4 (0.42) OPRM1OPRD1AADATGOT1KYAT1
SCHEMBL7443268 0.77 HRH4 (0.42) OPRM1OPRD1AADATGOT1KYAT1
SCHEMBL12153088 0.75 ANPEP (0.45) OPRM1OPRD1AADATGOT1KYAT1
SCHEMBL4491852 0.73 AADAT (0.51) AADATGOT1KYAT1KYAT3ANPEP
SCHEMBL12626584 0.73 AADAT (0.51) AADATGOT1KYAT1KYAT3ANPEP
SCHEMBL13431286 0.72 ACE (0.53) OPRM1OPRD1ACEMMETACR1

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
US-7884074-B2 Compounds and methods for prevention and/or treatment of inflammation using the same Ikaria Development Subsidiary Two, LLC (US) 2011-02-08 — — US disclosed
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