SCHEMBL8900994

SCHEMBL8900994

COc1ccc(C2[CH]CCCN2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.44
GID4 Q8IVV7 1/20 0.42
KDM1A O60341 4/20 0.41
MAOA P21397 3/20 0.41
MAOB P27338 2/20 0.41
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAP2K1 Q02750 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8533774 0.80 MAPT (0.42) GID4KDM1ATDP1
SCHEMBL7480391 0.77 PRCP (0.38) KDM1ASLC6A2SLC6A4SLC6A3TDP1
SCHEMBL14931991 0.72 HTR2C (0.46) KDM1AALDH1A1MEN1KMT2A
SCHEMBL164122 0.71 MEN1 (0.59) ADRA2CGID4KDM1AMAOAMAOB
SCHEMBL31494195 0.71 MEN1 (0.59) ADRA2CGID4KDM1AMAOAMAOB
SCHEMBL6181098 0.71 MEN1 (0.59) ADRA2CGID4KDM1AMAOAMAOB
SCHEMBL3348073 0.70 MEN1 (0.54) ADRA2CGID4KDM1AMAOAMAOB
SCHEMBL8531187 0.70 ABCC9 (0.34) HPGD
SCHEMBL4599631 0.69 MEN1 (0.53) ADRA2CGID4ALDH1A1POLBMEN1
SCHEMBL8542490 0.69 MEN1 (0.53) ADRA2CGID4ALDH1A1POLBMEN1

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-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed