SCHEMBL16072425

SCHEMBL16072425

CN1C2CC(OC(=O)Cc3ccccc3)CC1C1OC12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.61
CHRM4 P08173 2/20 0.61
TSHR P16473 2/20 0.61
LMNA P02545 2/20 0.61
CHRM2 P08172 2/20 0.61
CHRM3 P20309 2/20 0.61
CHRM5 P08912 1/20 0.61
CYP1A2 P05177 1/20 0.61
NFKB1 P19838 1/20 0.61
HIF1A Q16665 1/20 0.61
KMT2A Q03164 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
MEN1 O00255 1/20 0.60
BLM P54132 1/20 0.60
ALDH1A1 P00352 1/20 0.59
TP53 P04637 1/20 0.59
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53

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
SCHEMBL23712408 0.87 CHRM1 (0.47) CHRM1CHRM4TSHRLMNACHRM2
SCHEMBL6105382 0.86 STS (0.46) CHRM1CHRM4TSHRLMNACHRM2
SCHEMBL6105386 0.86 STS (0.46) CHRM1CHRM4TSHRLMNACHRM2
SCHEMBL13175813 0.81 CHRM2 (0.54) CHRM1CHRM4LMNACHRM2CHRM3
SCHEMBL5790060 0.80 HTR3E (0.63) CHRM1CHRM4LMNACHRM2CHRM3
SCHEMBL13698870 0.80 HTR3E (0.63) CHRM1CHRM4LMNACHRM2CHRM3
SCHEMBL5791676 0.80 HTR3E (0.63) CHRM1CHRM4LMNACHRM2CHRM3
SCHEMBL18589685 0.80 HTR3E (0.63) CHRM1CHRM4TSHRLMNACHRM2
SCHEMBL18577676 0.80 HTR3E (0.63) CHRM1CHRM4TSHRLMNACHRM2
SCHEMBL18590685 0.80 HTR3E (0.63) CHRM1CHRM4TSHRLMNACHRM2

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
WO-2014140318-A1 IMPROVED PROCESS FOR ACYL TRANSFER REACTIONS K.H.S. PHARMA HOLDING GMBH (DE) 2014-09-18 WO disclosed