SCHEMBL31455463

SCHEMBL31455463

COC(=O)C1CCN(CCc2ccc(N)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
HTR2A P28223 4/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
ABCB1 P08183 2/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRM2 Q14416 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
DRD4 P21917 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42

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
SCHEMBL16695250 0.87 LTA4H (0.56) LTA4HTHRATHRBSMN1; SMN2
SCHEMBL27438740 0.87 LTA4H (0.67) LTA4HHTR2AALDH1A1SIGMAR1
SCHEMBL12156557 0.84 S1PR5 (0.54) LTA4HHTR2AHTR2CHTR7HTR6
SCHEMBL7851403 0.81 KDM4E (0.60) ALDH1A1HTTSMN1; SMN2SIGMAR1
SCHEMBL4689543 0.80 THRA (0.58) LTA4HTHRATHRBHTR2AHTR2C
SCHEMBL14205445 0.80 ALDH1A1 (0.64) LTA4HTHRATHRBHTR2AHTR2C
SCHEMBL6205274 0.80 KDM4E (0.59) ALDH1A1HTTS1PR5
SCHEMBL5784653 0.80 KDM4E (0.56) LTA4HALDH1A1SMN1; SMN2
SCHEMBL14495108 0.79 HTR2A (0.67) THRATHRBHTR2AHTR2CHTR7
SCHEMBL14205446 0.79 LTA4H (0.57) LTA4HHTR2AGRM2SIGMAR1DRD4

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed