SCHEMBL27663544

SCHEMBL27663544

[CH2]CC(c1ccccc1)c1cc2cccc(F)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.42
▸ DDO Q99489 1/20 0.42
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CNR1 P21554 3/20 0.38
▸ HRH4 Q9H3N8 2/20 0.35
▸ HRH1 P35367 2/20 0.34
▸ PCSK9 Q8NBP7 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ ALB P02768 1/20 0.34
▸ IL2 P60568 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HTR1B P28222 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
SCHEMBL27682952 0.81 DAO (0.47) DAODDO
SCHEMBL2075092 0.79 HTR2A (0.51) HRH1HTR1B
SCHEMBL27663367 0.78 LOXL2 (0.44) DAO
SCHEMBL16380961 0.74 DAO (0.49) DAODDOCA12CA9HRH4
SCHEMBL20826030 0.73 DAO (0.40) DAODDOCA12CA9HRH4
SCHEMBL20826032 0.73 DAO (0.40) DAODDOCA12CA9HRH4
SCHEMBL28776189 0.69 SLC6A2 (0.38) HRH1
SCHEMBL27663475 0.69 CNR1 (0.39) DAOCNR1
SCHEMBL2074077 0.68 HTR2A (0.51) DAODDOHRH1HTR1B
SCHEMBL3293424 0.68 DAO (0.53) DAODDOCA12CA9HRH4

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-1993321-A 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors HOFFMANN LA ROCHE (CH) 2007-07-04 — — CN disclosed
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