SCHEMBL436726

SCHEMBL436726

CCN(C(=O)C1CCNCC1)c1cccc(-c2ccc3c(c2)CC(C(=O)NO)CC3)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.42
ADRB3 P13945 3/20 0.35
NR1H4 Q96RI1 8/20 0.35
HDAC8 Q9BY41 2/20 0.34
LMNA P02545 2/20 0.34
ADRB1 P08588 1/20 0.34
F10 P00742 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HTT P42858 1/20 0.33
NR1I2 O75469 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL346051 0.75 CA1 (0.47) ADRB3HDAC8ADRB1
SCHEMBL459845 0.75 FAAH (0.49) GHSRADRB3HDAC8ADRB1HDAC1
SCHEMBL10260016 0.75 FAAH (0.51) GHSRADRB3HDAC8ADRB1HDAC1
SCHEMBL436179 0.74 GRIA2 (0.35) GHSRHDAC8HDAC1HDAC2
SCHEMBL461537 0.74 RXRA (0.47) GHSRADRB3HDAC8HDAC1HDAC2
SCHEMBL461316 0.73 MCHR1 (0.45) GHSRADRB3HDAC8
SCHEMBL436855 0.73 GHSR (0.46) GHSRADRB3HDAC8HDAC1TP53
SCHEMBL10197736 0.73 HDAC1 (0.53) HDAC8HDAC1HDAC2
SCHEMBL459943 0.72 GRIA2 (0.53) GHSRHDAC8LMNATHRB
SCHEMBL10197667 0.72 GRIA2 (0.53) GHSRHDAC1TP53

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
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed