SCHEMBL9539646

SCHEMBL9539646

O=CCC(c1ccc(Cl)cc1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.44
SLC6A4 P31645 11/20 0.44
SLC6A3 Q01959 11/20 0.44
P2RX7 Q99572 4/20 0.39
FFAR1 O14842 1/20 0.38
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
GABBR2 O75899 3/20 0.34
GABBR1 Q9UBS5 3/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
NFKB1 P19838 1/20 0.34
DRD3 P35462 1/20 0.34
BLM P54132 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL5734673 0.93 SLC6A3 (0.43) SLC6A2SLC6A4SLC6A3P2RX7MEN1
SCHEMBL20902343 0.86 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3P2RX7FFAR1
SCHEMBL20902391 0.84 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL20446557 0.79 FFAR1 (0.35) SLC6A2SLC6A4SLC6A3FFAR1LMNA
SCHEMBL9539582 0.78 RPS6KB1 (0.39) FFAR1
SCHEMBL6907975 0.76 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3P2RX7FFAR1
SCHEMBL7705768 0.76 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3P2RX7FFAR1
SCHEMBL9643779 0.76 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3P2RX7FFAR1
SCHEMBL6917685 0.76 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3P2RX7FFAR1
SCHEMBL27820014 0.76 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3P2RX7FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5223536-A Pyrethroid-like pesticides FMC CORPORATION (US) 1993-06-29 US disclosed
WO-1993001715-A1 1,4-DIARYL-1-CYCLOPROPYL-4-SUBSTITUTED BUTANES AS INSECTICIDES AND ACARICIDES FMC CORPORATION (US) 1993-02-04 WO disclosed