SCHEMBL9734955

SCHEMBL9734955

Cc1ccccc1C(=O)N1CCN(C(=O)C2CCC(=O)N2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
CCR6 P51684 1/20 0.54
ALDH1A1 P00352 4/20 0.53
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
HTR2B P41595 1/20 0.50
MAPK14 Q16539 1/20 0.50
NAMPT P43490 2/20 0.49
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
PARP1 P09874 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD11B1 P28845 1/20 0.47
MGLL Q99685 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
SCHEMBL9735575 0.85 RAB9A (0.56) HTTALDH1A1CYP2C9CYP2C19HTR2B
SCHEMBL9735403 0.84 TSHR (0.60) NAMPTMAPTNPSR1MEN1KMT2A
SCHEMBL9734952 0.83 NAMPT (0.52) ALDH1A1NAMPTHPGDPARP1MEN1
SCHEMBL9735965 0.81 PKM (0.51) ALDH1A1NAMPTHPGDMEN1KMT2A
SCHEMBL7950888 0.80 NAMPT (0.51) ALDH1A1NAMPTPARP1MEN1KMT2A
SCHEMBL7950882 0.80 NAMPT (0.51) ALDH1A1NAMPTPARP1MEN1KMT2A
SCHEMBL21431496 0.79 CCR6 (0.74) HTTCCR6ALDH1A1CYP2C9CYP2C19
SCHEMBL9734377 0.79 HPGD (0.54) HTTHPGDMEN1KMT2AHSD11B1
SCHEMBL10722320 0.78 HTT (0.89) HTTCCR6ALDH1A1CYP2C9CYP2C19
Fasoracetam SCHEMBL21177980 0.78 NAMPT (0.47) NAMPTPARP1MEN1KMT2A

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-5102882-A Nootropic agents NIPPON SHINYAKU CO., LTD. (JP) 1992-04-07 US disclosed