SCHEMBL28834740

SCHEMBL28834740

c1ccc2cc3c(Cc4ccc5ccccc5n4)cccc3cc2c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.51
CYSLTR1 Q9Y271 7/20 0.45
CYSLTR2 Q9NS75 2/20 0.45
LMNA P02545 1/20 0.43
GPBAR1 Q8TDU6 7/20 0.43
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL10697907 0.85 LMNA (0.50) PDE10ACYSLTR1CYSLTR2LMNACYP1A2
Hydrochloric Acid SCHEMBL28965875 0.83 ADRA2A (0.50) PDE10ACYSLTR1CYSLTR2LMNACYP1A2
SCHEMBL3267444 0.76 CYSLTR1 (0.57) PDE10ACYSLTR1CYSLTR2LMNACYP1A2
SCHEMBL30879956 0.76 CYSLTR1 (0.57) PDE10ACYSLTR1CYSLTR2LMNACYP1A2
SCHEMBL11731214 0.75 NCF1 (0.47) PDE10ACYSLTR1CYSLTR2LMNACYP1A2
SCHEMBL28818198 0.75 CYP1A2 (0.45) PDE10ACYSLTR1CYSLTR2LMNACYP1A2
SCHEMBL4938792 0.74 CYSLTR1 (0.55) PDE10ACYSLTR1CYSLTR2LMNAGPBAR1
(Chloromethyl)Benzene SCHEMBL27991911 0.74 LMNA (0.41) PDE10ACYSLTR1CYSLTR2LMNAGPBAR1
SCHEMBL1881275 0.72 CYP1A2 (0.43) PDE10ACYSLTR1CYSLTR2LMNAGPBAR1
SCHEMBL4281890 0.72 KMT2A (0.58) PDE10ALMNAALDH1A1GLAMAPT

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
CN-103857656-B Enantioselective process for insecticidal 3-aryl-3-trifluoromethyl-substituted pyrrolidines 先正达参股股份有限公司 2016-09-14 CN disclosed