SCHEMBL10469080

SCHEMBL10469080

CCCC[C@H]1NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.47
HDAC3 O15379 8/20 0.45
HDAC1 Q13547 8/20 0.45
HDAC2 Q92769 8/20 0.45
NCOR2 Q9Y618 1/20 0.45
SLC6A4 P31645 1/20 0.43
HTR2A P28223 1/20 0.43
CA2 P00918 1/20 0.40
CCKBR P32239 2/20 0.40
HDAC4 P56524 7/20 0.40
HDAC7 Q8WUI4 7/20 0.40
HDAC10 Q969S8 7/20 0.40
HDAC11 Q96DB2 7/20 0.40
HDAC8 Q9BY41 7/20 0.40
HDAC6 Q9UBN7 7/20 0.40
HDAC9 Q9UKV0 7/20 0.40
HDAC5 Q9UQL6 7/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL10467635 0.96 GPR84 (0.46) GPR84HDAC3HDAC1HDAC2NCOR2
SCHEMBL10467632 0.96 GPR84 (0.46) GPR84HDAC3HDAC1HDAC2NCOR2
SCHEMBL10467234 0.96 GPR84 (0.46) GPR84HDAC3HDAC1HDAC2NCOR2
SCHEMBL10468617 0.95 GPR84 (0.44) GPR84HDAC3HDAC1HDAC2NCOR2
SCHEMBL10467960 0.95 GPR84 (0.44) GPR84HDAC3HDAC1HDAC2NCOR2
SCHEMBL10570632 0.95 GPR84 (0.44) GPR84HDAC3HDAC1HDAC2NCOR2
SCHEMBL10466595 0.95 GPR84 (0.44) GPR84HDAC3HDAC1HDAC2NCOR2
SCHEMBL10466056 0.95 GPR84 (0.44) GPR84HDAC3HDAC1HDAC2NCOR2
SCHEMBL10468796 0.92 HDAC3 (0.51) GPR84HDAC3HDAC1HDAC2NCOR2
SCHEMBL10468191 0.89 GPR84 (0.57) GPR84SLC6A4HTR2ACA2CCKBR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4940709-A PLATELET ACTIVATING FACTOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-10 US disclosed
EP-0181152-B1 PIPERAZINE COMPOUND AS PAF-ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-13 EP disclosed
US-4806538-A ANTICOAGULANT, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-02-21 US disclosed
EP-0181152-A1 Piperazine compound as PAF-antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed