SCHEMBL31517702

SCHEMBL31517702

CCCn1cc(-c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
SLC6A2 P23975 1/20 0.51
HTR2A P28223 1/20 0.51
SLC6A4 P31645 1/20 0.51
DRD3 P35462 1/20 0.51
SLC6A3 Q01959 1/20 0.51
CNR2 P34972 6/20 0.47
CNR1 P21554 3/20 0.47
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
GSK3B P49841 2/20 0.46
QPCT Q16769 2/20 0.46
F2RL3 Q96RI0 1/20 0.43
ASH1L Q9NR48 1/20 0.43
CAMK2D Q13557 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
SCHEMBL31517746 0.88 SMN1; SMN2 (0.49) HTR1ADRD2SLC6A2HTR2ASLC6A4
SCHEMBL19996601 0.87 CNR2 (0.51) CNR2CNR1F2RL3ASH1LCAMK2D
SCHEMBL31517688 0.85 HTR1A (0.40) HTR1ADRD2SLC6A2HTR2ASLC6A4
SCHEMBL9300549 0.79 IMPDH2 (0.57) GSK3BASH1L
SCHEMBL27977988 0.75 CNR2 (0.56) CNR2CNR1
Morpholine SCHEMBL28861517 0.74 GSK3B (0.39) CNR2CNR1GSK3BQPCTF2RL3
SCHEMBL12124567 0.74 HTR1A (0.57) HTR1ADRD2SLC6A2HTR2ASLC6A4
SCHEMBL5469815 0.72 CDC25A (0.55) CNR2CNR1
SCHEMBL1878132 0.72 GSK3B (0.48) HTR1ADRD2SLC6A2HTR2ASLC6A4
SCHEMBL29941711 0.72 GSK3B (0.48) HTR1ADRD2SLC6A2HTR2ASLC6A4

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-2025090648-A1 METHODS AND COMPOSITIONS FOR INHIBITING METASTASIS OF SOLID TUMORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-05-01 WO disclosed