SCHEMBL5833452

SCHEMBL5833452

O=C(O)N(CC1C2CCC1N(Cc1ccccc1)C2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 7/20 0.40
UBE2M P61081 6/20 0.40
TACR1 P25103 4/20 0.37
USP2 O75604 2/20 0.37
TACR2 P21452 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ACHE P22303 1/20 0.36
S1PR1 P21453 1/20 0.36
GRK5 P34947 1/20 0.36
CDK8 P49336 1/20 0.36
S1PR5 Q9H228 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TEAD1 P28347 1/20 0.36

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
SCHEMBL5833112 0.84 ROCK2 (0.41) ACHE
SCHEMBL5833539 0.82 CHRM2 (0.47) SIGMAR1
SCHEMBL5833278 0.81 RNF4 (0.42) ACHE
SCHEMBL5833430 0.80 SIGMAR1 (0.43) SIGMAR1ACHEMEN1KMT2A
SCHEMBL5833937 0.79 OPRD1 (0.47) ACHEKMT2A
SCHEMBL5833269 0.78 KDM1A (0.40) DCUN1D1MEN1KMT2A
SCHEMBL5844904 0.78 LMNA (0.38) DCUN1D1UBE2MSIGMAR1ACHEMEN1
SCHEMBL5833024 0.78 BRD4 (0.38) SIGMAR1MEN1KMT2A
SCHEMBL5833447 0.78 TACR1 (0.41) TACR1TACR2KCNH2MEN1KMT2A
SCHEMBL5833003 0.75 SIGMAR1 (0.41) SIGMAR1ACHEKMT2A

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-7008955-B2 (2-azabicyclo[2.2.1]hept-7yl) methanol derivatives as nicotinic acetylcholine receptor agonists MERCK PATENT GMBH (DE) 2006-03-07 US claimed