SCHEMBL29032247

SCHEMBL29032247

Fc1cc(CC2CC2)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.42
KDM1A O60341 3/20 0.41
KCNH2 Q12809 2/20 0.41
KDM1B Q8NB78 1/20 0.41
CNR1 P21554 3/20 0.40
IDO1 P14902 1/20 0.38
RCOR1 Q9UKL0 1/20 0.36
HTR1A P08908 1/20 0.36
FPR2 P25090 2/20 0.34
PROKR1 Q8TCW9 2/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL24362680 0.84 SLC6A4 (0.40) SLC6A4KDM1AKCNH2KDM1BCNR1
Hydrochloric Acid SCHEMBL29599649 0.82 SLC6A4 (0.39) SLC6A4KDM1AKCNH2KDM1BCNR1
SCHEMBL4292162 0.82 CNR1 (0.52) KDM1ACNR1
SCHEMBL1346161 0.81 CYP2C9 (0.49) KCNH2
SCHEMBL19641600 0.78 KDM4E (0.44) SLC6A4CNR1IDO1
SCHEMBL3645800 0.77 SLC6A4 (0.42) SLC6A4HTR1AATM
SCHEMBL21936672 0.77 PROKR1 (0.40) SLC6A4CNR1FPR2PROKR1
SCHEMBL12276365 0.77 ALDH1A1 (0.43) CNR1FPR2PROKR1ATM
SCHEMBL27819618 0.76 SLC6A4 (0.38) SLC6A4HTR1AFPR2PROKR1
SCHEMBL24362370 0.75 ESR1 (0.39) SLC6A4KDM1AKCNH2KDM1BCNR1

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
CN-110740991-B Novel biphenyl compound or salt thereof 大鹏药品工业株式会社 2023-07-04 CN disclosed