SCHEMBL7005264

SCHEMBL7005264

CCCCc1cc(/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)NCC)n2nccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
TERT O14746 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 3/20 0.35

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
SCHEMBL7005277 1.00 HTR1A (0.37) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL7003833 0.89 MEN1 (0.45) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL7003831 0.89 MEN1 (0.45) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL7001608 0.86 KDM4E (0.45) CDK7CDK9TERTMEN1KMT2A
SCHEMBL7001614 0.86 KDM4E (0.45) CDK7CDK9TERTMEN1KMT2A
SCHEMBL7004689 0.85 CDK7 (0.38) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL7004692 0.85 CDK7 (0.38) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL6998414 0.83 CDK7 (0.39) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL6998419 0.83 CDK7 (0.39) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL6998422 0.83 CDK7 (0.39) HTR1AHTR2CHTR2ASLC6A4HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081149-B1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2003-04-02 EP disclosed
US-6372749-B1 PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-04-16 US disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP disclosed