SCHEMBL11445489

SCHEMBL11445489

COc1cc(C(C)=O)ccc1C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.55
CHRNA1 P02708 1/20 0.48
CHRNG P07510 1/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
CHRND Q07001 1/20 0.48
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.43
HTR2A P28223 2/20 0.43
LMNA P02545 1/20 0.42
BRPF1 P55201 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
HTR1A P08908 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL28599644 0.85 KMT2A (0.55) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL31701871 0.85 HTR2C (0.51) HTR2CHTR2ABRPF1SLC6A2SLC6A4
SCHEMBL16292956 0.80 HTR2C (0.51) HTR2CBRPF1SLC6A2SLC6A4SLC6A3
SCHEMBL2707057 0.77 HTR2C (0.63) HTR2CKMT2AMEN1ALDH1A1HTR2A
SCHEMBL21484828 0.77 MEN1 (0.49) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL22542016 0.77 SLC6A2 (0.63) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL10186122 0.77 CA12 (0.61) KMT2AMEN1LMNAPDE4D
SCHEMBL16951870 0.77 HTR2C (0.41) HTR2CKMT2AMEN1ALDH1A1HTR2A
SCHEMBL23712339 0.76 HTR2C (0.61) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL5669793 0.76 HTR2C (0.61) HTR2CHTR2ASLC6A2SLC6A4SLC6A3

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-4188396-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1980-02-12 US disclosed