SCHEMBL8340141

SCHEMBL8340141

O=C(O)CCCc1ccc(N2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.63
S1PR1 P21453 1/20 0.52
HDAC3 O15379 1/20 0.51
MAPK1 P28482 1/20 0.51
ADRA1A P35348 1/20 0.51
HDAC4 P56524 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HDAC1 Q13547 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
SIGMAR1 Q99720 3/20 0.51
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL8343570 0.84 HDAC3 (0.62) FFAR4S1PR1HDAC3MAPK1ADRA1A
SCHEMBL4427532 0.80 USP5 (0.66) HDAC1SMN1; SMN2HDAC8HDAC6SIGMAR1
SCHEMBL6625042 0.80 HSD17B10 (0.60) FFAR4S1PR1HDAC3MAPK1ADRA1A
SCHEMBL1454883 0.80 FFAR4 (0.60) FFAR4S1PR1HDAC3MAPK1ADRA1A
SCHEMBL7412896 0.78 RAB9A (0.50) FFAR4SIGMAR1MEN1KMT2A
SCHEMBL19599852 0.78 FFAR4 (1.00) FFAR4
SCHEMBL7616187 0.77 FFAR4 (0.44) FFAR4SMN1; SMN2SIGMAR1MEN1TP53
SCHEMBL27576554 0.76 USP5 (0.49) FFAR4SMN1; SMN2HDAC6SIGMAR1TP53
SCHEMBL7417928 0.76 USP5 (0.49) FFAR4SMN1; SMN2HDAC6SIGMAR1TP53
SCHEMBL6674717 0.76 MEN1 (0.49) SIGMAR1MEN1TP53CYP1A2CYP3A4

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-5948780-A ADMINISTERING A METALLOPROTEINASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-09-07 US disclosed