SCHEMBL8406465

SCHEMBL8406465

CCCn1c(=O)n(N2CCN(c3ncccc3C#N)CC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.48
▸ HTR2A P28223 5/20 0.48
▸ HTR1A P08908 2/20 0.46
▸ HTR7 P34969 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HSD11B1 P28845 1/20 0.44
▸ DRD4 P21917 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ RECQL P46063 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8407506 0.79 KDM4E (0.49) DRD2HTR2AHTR1AHTR7ALDH1A1
SCHEMBL8407627 0.79 HTR7 (0.41) DRD2HTR7DRD4
SCHEMBL12668144 0.73 ALDH1A1 (0.56) DRD2HTR2AHTR1AHTR7ALDH1A1
SCHEMBL8406463 0.72 DPP4 (0.40) DRD2HTR2A
SCHEMBL30607591 0.72 ALDH1A1 (0.64) DRD2HTR2AHTR1AHTR7ALDH1A1
SCHEMBL2076150 0.72 ALDH1A1 (0.64) DRD2HTR2AHTR1AHTR7ALDH1A1
SCHEMBL10414446 0.72 DRD2 (0.73) DRD2HTR2AHTR1AHTR7ALDH1A1
SCHEMBL12670251 0.71 DRD2 (0.64) DRD2HTR2AHTR1AHTR7ALDH1A1
SCHEMBL8235906 0.69 KDM4E (0.69) DRD2HTR2AALDH1A1MAPTHSD11B1
SCHEMBL6702628 0.68 KDM4E (0.59) DRD2HTR2AALDH1A1MAPTHSD11B1

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-5883094-A Benzimidazolone derivatives with central dopaminergic activity PFIZER INC. (US) 1999-03-16 — — US disclosed
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