SCHEMBL8669230

SCHEMBL8669230

CN(C(=O)C(N)CS)C1N=C(c2ccccc2)c2cc(Cl)ccc2N(C[C]=O)C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.45
PDE4D Q08499 1/20 0.45
OPRK1 P41145 3/20 0.45
LMNA P02545 1/20 0.45
PDE3A Q14432 1/20 0.45
CCKBR P32239 4/20 0.42
CCKAR P32238 2/20 0.42
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.40
MCL1 Q07820 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 3/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
NR1I2 O75469 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL8672710 0.91 PDE4D (0.46) HTR2BPDE4DOPRK1LMNAPDE3A
SCHEMBL8674133 0.90 CCKBR (0.48) CCKBRCCKARFNTAFNTBTP53
SCHEMBL8667954 0.90 CCKBR (0.48) CCKBRCCKARFNTAFNTBTP53
SCHEMBL8669399 0.90 LMNA (0.41) OPRK1LMNACCKBRCCKARMAPT
SCHEMBL8670231 0.88 OPRK1 (0.57) HTR2BPDE4DOPRK1LMNAPDE3A
SCHEMBL8669346 0.88 HTR2B (0.41) HTR2BPDE4DOPRK1LMNAPDE3A
SCHEMBL8670227 0.87 HTR2B (0.49) HTR2BPDE4DOPRK1LMNAPDE3A
SCHEMBL8674481 0.84 HTR2B (0.45) HTR2BPDE4DOPRK1LMNAPDE3A
SCHEMBL8670552 0.84 HTR2B (0.45) HTR2BPDE4DOPRK1LMNAPDE3A
SCHEMBL8801536 0.84 OXTR (0.45) HTR2BPDE4DCCKBRNPSR1MAPT

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-5843941-A Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1998-12-01 US disclosed