SCHEMBL8624863

SCHEMBL8624863

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.51
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
CNR1 P21554 12/20 0.45
CNR2 P34972 9/20 0.45
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
AKT1 P31749 1/20 0.41

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
SCHEMBL8619446 0.98 FDFT1 (0.47) FDFT1CYP1A2CYP2D6CYP2C19CNR1
SCHEMBL8623156 0.92 SIGMAR1 (0.44) FDFT1CYP1A2CYP2D6CYP2C19CNR1
SCHEMBL8621712 0.91 SIGMAR1 (0.47) CYP1A2CYP2D6SIGMAR1ALDH1A1LMNA
SCHEMBL8625050 0.89 FDFT1 (0.47) FDFT1CYP1A2CYP2C19CNR1CNR2
SCHEMBL8191921 0.88 CNR1 (0.48) CYP1A2CYP2D6CYP2C19CNR1CNR2
SCHEMBL8623017 0.87 FDFT1 (0.41) FDFT1CYP1A2CYP2D6CYP2C19CNR1
SCHEMBL8623569 0.87 FDFT1 (0.47) FDFT1CYP1A2CYP2D6CYP2C19CNR1
SCHEMBL8200289 0.83 CNR1 (0.42) CYP1A2CYP2D6CYP2C19CNR1CNR2
SCHEMBL8200283 0.83 CNR1 (0.42) CYP1A2CYP2D6CYP2C19CNR1CNR2
SCHEMBL8128392 0.82 CYP1A2 (0.45) CYP1A2CYP2D6CYP2C19CNR1CNR2

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