SCHEMBL5848276

SCHEMBL5848276

CC(NC(=O)C1CC1c1ccccc1)c1ccc2c(c1)CCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM1A O60341 4/20 0.48
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
ACACB O00763 1/20 0.48
KCNQ3 O43525 2/20 0.48
KCNQ2 O43526 2/20 0.48
HTT P42858 2/20 0.47
GPR88 Q9GZN0 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL5849924 0.90 PRCP (0.50) CHRNA7SMN1; SMN2ACACBHTTHDAC4
SCHEMBL30794389 0.90 PRCP (0.50) CHRNA7ACACBHTTHDAC4HDAC3
SCHEMBL5677149 0.90 PRCP (0.50) CHRNA7ACACBHTTHDAC4HDAC3
SCHEMBL30794373 0.89 ACACB (0.45) CHRNA7NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL5848047 0.89 ACACB (0.45) CHRNA7NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL30795640 0.86 ACACB (0.45) CHRNA7SMN1; SMN2ACACBHTTHDAC4
SCHEMBL5848291 0.86 HTT (0.46) CHRNA7ACACBHTTHDAC4HDAC3
SCHEMBL5679372 0.86 ACACB (0.45) CHRNA7SMN1; SMN2ACACBHTTHDAC4
SCHEMBL19146532 0.81 ROCK2 (0.42) CHRNA7ACACBHTTHDAC4HDAC3
SCHEMBL20559175 0.81 ROCK2 (0.42) CHRNA7ACACBHTTHDAC4HDAC3

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-7144881-B2 Arylcyclopropylcarboxylic amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed