SCHEMBL7446165

SCHEMBL7446165

CSc1ccc(NC(=O)CN2CCC(NCC(O)C3COc4ccc(Cl)cc4O3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.39
SIGMAR1 Q99720 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL7434317 0.90 POLB (0.46) LMNANPSR1ATMGAAHTT
SCHEMBL7495736 0.89 TSHR (0.49) TSHRLMNANPSR1ATMGAA
SCHEMBL10994841 0.88 ALDH1A1 (0.43) TSHRLMNANPSR1ATMGAA
SCHEMBL7437024 0.85 LMNA (0.45) LMNAATMGAAHTTMEN1
SCHEMBL7435917 0.85 POLB (0.48) TSHRLMNANPSR1ATMHTT
SCHEMBL7429567 0.84 ALDH1A1 (0.46) TSHRLMNANPSR1HTTMEN1
SCHEMBL7440717 0.83 POLB (0.45) LMNANPSR1GAAHTTMEN1
SCHEMBL7437941 0.83 TSHR (0.43) TSHRLMNANPSR1ATMHTT
SCHEMBL7430532 0.83 KMT2A (0.39) TSHRLMNAATMGAAHTT
SCHEMBL7446182 0.82 CCR2 (0.40) TSHRLMNANPSR1ATMGAA

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