SCHEMBL21648929

SCHEMBL21648929

Cc1cc(F)c(CCC2CCC(C)CC2)c(F)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.31
MAOB P27338 1/20 0.31
DAO P14920 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL14035414 0.92 HRH3 (0.38) HRH3ALDH1A1
SCHEMBL23520435 0.80
SCHEMBL18459151 0.80 SLC6A2 (0.31)
SCHEMBL18682837 0.80
SCHEMBL21019437 0.79 HTR2A (0.42) MAOB
SCHEMBL12769386 0.79 PKM (0.33)
SCHEMBL26209407 0.77 SLC6A2 (0.32)
SCHEMBL17547996 0.76 SLC6A2 (0.34) MAOBDAOALDH1A1
SCHEMBL18503379 0.75 HTR2A (0.42) MAOB
SCHEMBL12433605 0.75 SIRT2 (0.36) HRH3

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-20200032142-A1 LIQUID-CRYSTAL LENS MERCK PATENT GMBH (DE) 2020-01-30 US disclosed