SCHEMBL7446182

SCHEMBL7446182

Cc1csc(NC(=O)CN2CCC(NCC(O)C3COc4ccc(Cl)cc4O3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.40
LMNA P02545 3/20 0.37
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7434334 0.91 CCR2 (0.40) CCR2LMNANPSR1HTTGAA
SCHEMBL10994845 0.88 CCR2 (0.38) CCR2LMNATSHRNPSR1HTT
SCHEMBL7437033 0.85 LMNA (0.37) LMNAHTTGAADRD2DRD4
SCHEMBL7429567 0.85 ALDH1A1 (0.46) LMNATSHRNPSR1HTTDRD2
SCHEMBL7446165 0.82 TSHR (0.43) LMNATSHRNPSR1HTTGAA
SCHEMBL7495736 0.82 TSHR (0.49) LMNATSHRNPSR1HTTGAA
SCHEMBL7440410 0.82 ALDH1A1 (0.46) LMNATSHRNPSR1HTTDRD2
SCHEMBL7440732 0.81 MAPT (0.38) LMNANPSR1DRD4MAPK1ALDH1A1
SCHEMBL7437941 0.79 TSHR (0.43) LMNATSHRNPSR1HTTDRD4
SCHEMBL7445153 0.79 MAPT (0.36) LMNANPSR1MEN1KMT2AMAPK1

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed