SCHEMBL9718562

SCHEMBL9718562

COc1cccc(-c2noc(C3CN4CCC3CC4)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 1/20 0.59
MAPK1 P28482 1/20 0.59
GRM5 P41594 3/20 0.56
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.55
KCNH2 Q12809 1/20 0.55
NPC1 O15118 1/20 0.54

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
SCHEMBL9718599 0.86 KCNH2 (0.54) SMN1; SMN2KCNH2
SCHEMBL9718617 0.82 KCNH2 (0.65) KCNH2
SCHEMBL9718621 0.81 KCNH2 (0.56) KCNH2
SCHEMBL9718623 0.78 KCNH2 (0.81) KCNH2
SCHEMBL9718655 0.77
SCHEMBL5110768 0.75 KCNH2 (0.57) KCNH2
SCHEMBL20676557 0.75 RAB9A (0.61) RAB9ASMN1; SMN2GAAMAPK1GRM5
SCHEMBL9718610 0.73 KCNH2 (0.55) KCNH2
SCHEMBL9718580 0.73
SCHEMBL9496249 0.73 CHRNA7 (0.58)

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-5135935-A Anticholesterol agents MERCK & CO., INC. (US) 1992-08-04 US disclosed