SCHEMBL7446683

SCHEMBL7446683

COc1cc2c(c(C)c1Cl)OCC(C(O)CN)O2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.31
HTR2A P28223 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
DPP4 P27487 2/20 0.31
CA5A P35218 2/20 0.31
CA9 Q16790 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
BACE1 P56817 1/20 0.31
AKR1B1 P15121 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL7429632 0.85 KDM4E (0.31)
SCHEMBL10988515 0.82 PDCD1 (0.36)
SCHEMBL7431643 0.80 HTR4 (0.32)
SCHEMBL7442008 0.77
SCHEMBL7436351 0.76 AHR (0.33)
SCHEMBL7432851 0.74 MAPT (0.44) LMNANPC1BACE1
SCHEMBL7432845 0.72 LMNA (0.35) HTR1ALMNABACE1
SCHEMBL7444229 0.70 CA2 (0.39) LMNANPC1CA2AKR1B1
SCHEMBL7439944 0.70 KDM4E (0.35) LMNACA2
SCHEMBL7434907 0.70 CA2 (0.43) LMNACA2AKR1B1

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