SCHEMBL8297910

SCHEMBL8297910

CC(C)C(CC(=O)NCCN1CCCC1)NC(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ MCHR1 Q99705 8/20 0.52
▸ MCHR2 Q969V1 3/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ TACR2 P21452 4/20 0.48
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL14519566 1.00 MEN1 (0.52) MEN1KMT2APOLBMCHR1MCHR2
SCHEMBL14519469 0.89 HTR3A (0.56) MEN1KMT2APOLBMCHR1
SCHEMBL8297592 0.89 HTR3A (0.56) MEN1KMT2APOLBMCHR1
SCHEMBL8297052 0.88 MEN1 (0.51) MEN1KMT2APOLBMCHR1MCHR2
SCHEMBL5407336 0.84 SMN1; SMN2 (0.55) MEN1KMT2APOLBMCHR1MCHR2
SCHEMBL5407347 0.84 SMN1; SMN2 (0.55) MEN1KMT2APOLBMCHR1MCHR2
SCHEMBL5417157 0.84 TACR2 (0.56) MEN1KMT2APOLBMCHR1MCHR2
SCHEMBL5417153 0.84 TACR2 (0.56) MEN1KMT2APOLBMCHR1MCHR2
SCHEMBL8296130 0.81 MAPK1 (0.50) MCHR1SMN1; SMN2MAPK1CYP2C9CYP2C19
SCHEMBL14519567 0.81 MAPK1 (0.50) MCHR1SMN1; SMN2MAPK1CYP2C9CYP2C19

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-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 — — WO disclosed
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