SCHEMBL8625050

SCHEMBL8625050

CC(NCc1ccc2ccccc2c1)C(Cc1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 7/20 0.47
SIGMAR1 Q99720 3/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
S1PR3 Q99500 2/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MME P08473 1/20 0.38
ACE P12821 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
SCHEMBL8621712 0.91 SIGMAR1 (0.47) SIGMAR1ALDH1A1LMNAMAPK1HTT
SCHEMBL8624863 0.89 FDFT1 (0.51) FDFT1SIGMAR1ALDH1A1LMNAMAPK1
SCHEMBL8619446 0.86 FDFT1 (0.47) FDFT1SIGMAR1CNR1CNR2CYP1A2
SCHEMBL8619616 0.83 FDFT1 (0.59) FDFT1SIGMAR1ALDH1A1LMNAMAPK1
SCHEMBL8623156 0.82 SIGMAR1 (0.44) FDFT1SIGMAR1CNR1CNR2CYP1A2
SCHEMBL8625053 0.77 FDFT1 (0.40) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8191921 0.77 CNR1 (0.48) MAPK1NPSR1CNR1CNR2CYP1A2
SCHEMBL8623017 0.77 FDFT1 (0.41) FDFT1SIGMAR1MAPK1NPSR1CNR1
SCHEMBL8623569 0.76 FDFT1 (0.47) FDFT1CNR1CNR2CYP1A2CYP2C19
SCHEMBL8620429 0.76 FDFT1 (0.47) FDFT1SIGMAR1CNR1CNR2CYP1A2

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
US-5777150-A Substituted amic acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-07-07 US disclosed