SCHEMBL7340457

SCHEMBL7340457

COc1c(C(=O)c2ccccc2OCCCNC(=O)OC(C)(C)C)ccc(C(=O)N(C)c2ccc(C)cc2OCCCCNC(=O)N2CCC(N(C)C)CC2)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.35
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
CDK2 P24941 2/20 0.35
DRD2 P14416 6/20 0.34
SMO Q99835 1/20 0.33
NAMPT P43490 2/20 0.33
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
MAPT P10636 4/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 2/20 0.32
ABL1 P00519 1/20 0.32
FYN P06241 1/20 0.32
SRC P12931 1/20 0.32
PTK6 Q13882 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 2/20 0.32

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
SCHEMBL7339161 0.93 CDK1 (0.35) CDK1CDK4CCND1CDK2DRD2
SCHEMBL7337098 0.88 CDK1 (0.36) CDK1CDK4CCND1CDK2DRD2
SCHEMBL7340552 0.87 CDK1 (0.36) CDK1CDK4CCND1CDK2DRD2
SCHEMBL7348293 0.87 MAPT (0.37) DRD2MAPTLMNAHTTATM
SCHEMBL7336405 0.87 MAPT (0.37) DRD2MAPTLMNAHTTATM
SCHEMBL7346426 0.86 MAPT (0.41) DRD2MAPTLMNAHTTATM
SCHEMBL7347827 0.85 MAPT (0.36) DRD2MAPTLMNAHTTATM
SCHEMBL7338088 0.85 DRD2 (0.45) DRD2DRD4DRD3
SCHEMBL7342217 0.85 SIGMAR1 (0.37) CDK1CDK4CCND1CDK2DRD2
SCHEMBL7343781 0.84 SIGMAR1 (0.35) CDK1CDK4CCND1CDK2DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed