SCHEMBL10993148

SCHEMBL10993148

CNCCC(Oc1cccc(C)c1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.39
NSD2 O96028 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
LMNA P02545 2/20 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
SCHEMBL10995043 0.86 MTNR1A (0.48) SLC6A4SLC6A2KDM4ENSD2ALDH1A1
SCHEMBL10995128 0.85 SLC6A4 (0.59) SLC6A4
SCHEMBL11035632 0.85 SLC6A4 (0.40) SLC6A4SLC6A2KDM4ENSD2ALDH1A1
SCHEMBL10987628 0.85 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL10993889 0.85 CHRNB4 (0.43) SLC6A4KDM4ENSD2ALDH1A1SMN1; SMN2
SCHEMBL10993181 0.84 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL10991064 0.83 SLC6A4 (0.39) SLC6A4KDM4ENSD2ALDH1A1SMN1; SMN2
SCHEMBL10991902 0.82 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL10992130 0.82 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3
SCHEMBL10989204 0.82 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1

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