SCHEMBL26250930

SCHEMBL26250930

COc1ccc(N[C@@H]2CCN(C)C[C@@H]2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GAA P10253 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
POLB P06746 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
CCR2 P41597 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL26251306 0.83 EPHX2 (0.46) ALDH1A1SMN1; SMN2HTR2A
SCHEMBL26251110 0.82 SSTR4 (0.42) ALDH1A1GAASMN1; SMN2HRH3POLB
SCHEMBL26250934 0.82 POLB (0.59) ALDH1A1SMN1; SMN2POLB
SCHEMBL26251134 0.82 SSTR4 (0.42) ALDH1A1GAASMN1; SMN2HRH3POLB
SCHEMBL6287003 0.81 SSTR4 (0.41) HRH3POLB
SCHEMBL31152659 0.76 POLB (0.65) ALDH1A1GAASMN1; SMN2MAPTKDM4E
SCHEMBL23976028 0.75 RAB9A (0.53) GAANPC1RAB9A
SCHEMBL23694353 0.74 GAA (0.48) ALDH1A1GAASMN1; SMN2MAPTKDM4E
SCHEMBL4961084 0.74 HTR3A (0.56) ALDH1A1MAPT
SCHEMBL26250933 0.72 ALDH1A1 (0.43) ALDH1A1GAAHRH3SIGMAR1HTR2A

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-2023150186-A1 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2023-08-10 WO disclosed