SCHEMBL8406460

SCHEMBL8406460

CCC(N1CCN(c2ncccc2C#N)CC1)n1c(=O)[nH]c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.48
▸ DRD2 P14416 4/20 0.43
▸ HTR2A P28223 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ PANK3 Q9H999 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ TNK2 Q07912 1/20 0.40
▸ TNK1 Q13470 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL8407620 0.80 HRH3 (0.42) ALDH1A1MAPTHTR7KDM4EPANK3
SCHEMBL6843564 0.75 DRD2 (0.62) DRD4DRD2HTR2AHTR1AHTR7
SCHEMBL30615337 0.72 GABRP (0.49) DRD4MAPTKDM4ERECQL
SCHEMBL9854895 0.71 HTR7 (0.38) DRD4DRD2ALDH1A1MAPTHTR1A
SCHEMBL12670251 0.68 DRD2 (0.64) DRD4DRD2HTR2AALDH1A1MAPT
SCHEMBL8406465 0.67 DRD2 (0.48) DRD4DRD2HTR2AALDH1A1MAPT
SCHEMBL30607591 0.67 ALDH1A1 (0.64) DRD4DRD2HTR2AALDH1A1MAPT
SCHEMBL2076150 0.67 ALDH1A1 (0.64) DRD4DRD2HTR2AALDH1A1MAPT
SCHEMBL8235906 0.66 KDM4E (0.69) DRD4DRD2HTR2AALDH1A1MAPT
SCHEMBL6702628 0.66 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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