SCHEMBL9725490

SCHEMBL9725490

COc1ccc2[nH]c(=O)n(CCN(C)C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.49
HTR2C P28335 5/20 0.49
CCR4 P51679 1/20 0.47
DYRK1A Q13627 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
CBX7 O95931 1/20 0.46
CDYL2 Q8N8U2 1/20 0.46
CDYL Q9Y232 1/20 0.46
CDY1; CDY1B Q9Y6F8 1/20 0.46
MAOB P27338 4/20 0.44
HTR6 P50406 5/20 0.44
HTR1A P08908 3/20 0.44
HTR1D P28221 3/20 0.44
HTR1E P28566 3/20 0.44
HTR7 P34969 3/20 0.44

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
Hydrochloric Acid SCHEMBL9725431 0.99 HTR2A (0.48) HTR2AHTR2CCCR4DYRK1AALDH1A1
SCHEMBL9725445 0.89 KDM4E (0.49) HTR2AHTR2CCCR4DYRK1AALDH1A1
Hydrochloric Acid SCHEMBL9725523 0.88 KDM4E (0.48) HTR2AHTR2CCCR4DYRK1AALDH1A1
SCHEMBL9725449 0.85 MAOB (0.47) CCR4ALDH1A1KDM4EMAOBCYP1A2
Hydrochloric Acid SCHEMBL9725464 0.84 MAOB (0.46) CCR4ALDH1A1KDM4EMAOBCYP1A2
SCHEMBL891123 0.83 CBX7 (0.47) KDM4EPDE3BPDE3ACBX7CDYL2
SCHEMBL9725403 0.82 DAO (0.53) CCR4CALCRLCYP1A2
SCHEMBL9725479 0.81 CCR4 (0.56) CCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9725422 0.81 DAO (0.51) CCR4MAOBCALCRL
SCHEMBL9725430 0.81 MPO (0.45) CCR4DYRK1ACYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP disclosed