SCHEMBL16684908

SCHEMBL16684908

CCCNC(=O)c1cccc2c1C(CC(F)(F)F)CN2CCNC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL16684906 0.90 GPR52 (0.33) ALDH1A1KDM4EHTTHTR2ADRD2
SCHEMBL16684943 0.72 HPGD (0.41) POLBALDH1A1KDM4ETSHRHTT
SCHEMBL16691666 0.67 HTR2C (0.59) ALDH1A1LMNAMAPK1KDM4EHTR2A
SCHEMBL16691502 0.67 HTR2C (0.59) ALDH1A1LMNAMAPK1KDM4EHTR2A
SCHEMBL16691526 0.67 HTR2C (0.59) ALDH1A1LMNAMAPK1KDM4EHTR2A
Hydrochloric Acid SCHEMBL16687125 0.67 HTR2C (0.58) ALDH1A1LMNAMAPK1KDM4EHTR2A
SCHEMBL7105503 0.63 TSHR (0.51) POLBALDH1A1TSHRHTTMEN1
SCHEMBL10158103 0.62 HTT (0.68) POLBALDH1A1LMNAMAPK1KDM4E
SCHEMBL18497851 0.60 ALOX5 (0.47) POLBLMNATSHRHTTMEN1
SCHEMBL6360854 0.60 LMNA (0.60) POLBALDH1A1LMNATSHRHTT

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
WO-2015066344-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2015-05-07 — — WO disclosed
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