SCHEMBL8976961

SCHEMBL8976961

CC(=Cc1cccc2ccccc12)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
LMNA P02545 3/20 0.55
KDM4E B2RXH2 3/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPK1 P28482 2/20 0.55
USP2 O75604 1/20 0.55
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
HPGD P15428 1/20 0.47
HBB P68871 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
NPC1 O15118 1/20 0.46
NPFFR1 Q9GZQ6 1/20 0.45
NPFFR2 Q9Y5X5 1/20 0.45

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
SCHEMBL8976956 1.00 ALDH1A1 (0.55) ALDH1A1LMNAKDM4EALOX15HSD17B10
SCHEMBL8954085 0.81 KMT2A (0.69) ALDH1A1LMNAKDM4EHSD17B10MAPK1
SCHEMBL8954080 0.81 KMT2A (0.69) ALDH1A1LMNAKDM4EHSD17B10MAPK1
SCHEMBL8976751 0.81 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EALOX15HSD17B10
SCHEMBL8976746 0.81 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EALOX15HSD17B10
SCHEMBL8976410 0.79 MEN1 (0.58) ALDH1A1LMNAKDM4EMAPK1KMT2A
SCHEMBL8976405 0.79 MEN1 (0.58) ALDH1A1LMNAKDM4EMAPK1KMT2A
SCHEMBL10825084 0.75 ALDH1A1 (0.70) ALDH1A1LMNAKDM4EMAPK1KMT2A
SCHEMBL8976627 0.75 MEN1 (0.67) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL8976630 0.75 MEN1 (0.67) ALDH1A1LMNAKDM4EKMT2AMEN1

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-0707004-A1 1-Arylalcenyl 4-arylmethylpiperazinderivatives, process for their preparation and pharmaceutical composition containing them ADIR ET COMPAGNIE (FR) 1996-04-17 EP disclosed