SCHEMBL10993181

SCHEMBL10993181

CNCCC(Oc1ccccc1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.55
HTR2A P28223 2/20 0.44
HRH1 P35367 2/20 0.44
HTR1B P28222 2/20 0.43
HTR1D P28221 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 4/20 0.43
CYP2D6 P10635 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 3/20 0.43
NPC1 O15118 2/20 0.43
MTOR P42345 2/20 0.43
RAB9A P51151 2/20 0.43
SLC6A2 P23975 2/20 0.43
HTR2C P28335 2/20 0.43
SLC6A3 Q01959 2/20 0.43
TP53 P04637 2/20 0.43
ALOX15 P16050 2/20 0.43

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
SCHEMBL10988752 0.86 SLC6A4 (0.41) SLC6A4HTR2AHRH1MEN1KMT2A
SCHEMBL10991902 0.86 SLC6A4 (0.40) SLC6A4HTR2AHRH1MEN1KMT2A
SCHEMBL10987185 0.84 SLC6A4 (0.39) SLC6A4HTR2AHRH1MEN1KMT2A
SCHEMBL10991359 0.84 SLC6A4 (0.39) SLC6A4HTR2AHRH1MEN1KMT2A
SCHEMBL10997868 0.84 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3SIGMAR1CARM1
SCHEMBL10985391 0.84 SLC6A4 (0.54) SLC6A4HTR2AHRH1MEN1KMT2A
SCHEMBL10992307 0.84 SLC6A4 (0.54) SLC6A4HTR2AHRH1MEN1KMT2A
SCHEMBL10995043 0.84 MTNR1A (0.48) SLC6A4CYP3A4CYP2C19CYP1A2SLC6A2
SCHEMBL10993148 0.84 SLC6A4 (0.41) SLC6A4MEN1KMT2ALMNASLC6A2
SCHEMBL11035632 0.83 SLC6A4 (0.40) SLC6A4SLC6A2KDM4ECHRM2CHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4500541-A Pharmacologically active cyclopropane derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-02-19 US disclosed
EP-0039771-B1 CYCLOPROPANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PRODUCTION MERCK PATENT GmbH (DE) 1983-10-19 EP disclosed
EP-0039771-A1 Cyclopropane derivatives, pharmaceutical compositions containing them and processes for their production MERCK PATENT GmbH (DE) 1981-11-18 EP disclosed