SCHEMBL26090516

SCHEMBL26090516

CC(C)N1CCN(C(=O)CN2CCN(C)CC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
DRD4 P21917 4/20 0.44
MEN1 O00255 2/20 0.44
DRD2 P14416 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.43
CYP2C19 P33261 1/20 0.41
TERT O14746 1/20 0.41

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
SCHEMBL30379814 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL30379351 0.88 DRD2 (0.47) ALDH1A1KDM4EPOLBDRD4MEN1
SCHEMBL26088435 0.88 DRD2 (0.47) ALDH1A1KDM4EPOLBDRD4MEN1
SCHEMBL30910069 0.88 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBPKMDRD4
SCHEMBL26091237 0.88 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBPKMDRD4
SCHEMBL26088955 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL30379642 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL30379399 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL26090149 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBPKMCYP3A4
SCHEMBL30379221 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBPKMDRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023068755-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 사피엔스바이오 2023-04-27 WO claimed
CN-118119612-A Novel compounds and pharmaceutical compositions comprising the same 萨皮恩斯生物有限公司 2024-05-31 CN disclosed
WO-2023068755-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 사피엔스바이오 2023-04-27 WO disclosed
WO-2023068755-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 사피엔스바이오 2023-04-27 WO disclosed