SCHEMBL3837899

SCHEMBL3837899

O=C(CN1CCN(CC(=O)c2ccc(Cl)cc2)CC1)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
HTT P42858 2/20 0.60
USP2 O75604 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 1/20 0.58
MDM2 Q00987 1/20 0.57
ATM Q13315 1/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL3838703 0.91 HTT (0.68) HTTUSP2MEN1KMT2ANPSR1
SCHEMBL3844592 0.85 HTT (0.79) HTTUSP2MEN1KMT2ANPSR1
SCHEMBL3838145 0.84 LMNA (0.67) L3MBTL1HTTUSP2MEN1KMT2A
SCHEMBL4874296 0.83 ALDH1A1 (0.71) L3MBTL1USP2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4873283 0.83 LMNA (0.66) L3MBTL1HTTUSP2MEN1KMT2A
Hydrochloric Acid SCHEMBL4485907 0.82 ALDH1A1 (0.80) L3MBTL1ALDH1A1ATMCYP3A4CYP2D6
SCHEMBL4818022 0.82 CA1 (0.76) HTTUSP2MEN1KMT2ANPSR1
SCHEMBL15340905 0.80 KMT2A (0.64) MEN1KMT2AALDH1A1HPGDCYP3A4
SCHEMBL4871531 0.79 LMNA (0.71) L3MBTL1HTTUSP2MEN1KMT2A
SCHEMBL4507273 0.78 MEN1 (0.60) L3MBTL1HTTUSP2MEN1KMT2A

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
EP-1553092-B1 ARALKYL FORMYL-ALKYL PIPERAZINE DERIVATIVES AND THEIR USES AS CEREBRAL NERVE PROTECTIVE AGENT SHANGHAI INST PHARM INDUSTRY (CN) 2009-11-04 EP claimed