SCHEMBL9001189

SCHEMBL9001189

COc1ccccc1C1CCNC(CCC(C(=O)N2CCCCCC2)c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.50
HTR1D P28221 1/20 0.50
HTR2B P41595 1/20 0.50
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PROKR1 Q8TCW9 3/20 0.40
HTR2C P28335 2/20 0.39
DPP7 Q9UHL4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
FDFT1 P37268 1/20 0.38

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
SCHEMBL9001214 0.80 HTR2C (0.46) MEN1KMT2AALDH1A1LMNAHTR2C
SCHEMBL9001370 0.79 ALDH1A1 (0.46) HTR1AHTR1DHTR2BMEN1KMT2A
SCHEMBL9001256 0.79 HTR1A (0.68) HTR1AHTR1DHTR2BMEN1KMT2A
SCHEMBL7937294 0.74 HTR1A (0.52) HTR1AHTR1DHTR2BMEN1KMT2A
SCHEMBL16167669 0.72 HTR2C (0.46) MEN1KMT2AALDH1A1LMNAHTR2C
SCHEMBL11919645 0.71 HTR2C (0.54) HTR1AHTR2BMEN1KMT2AHTR2C
Hydrochloric Acid SCHEMBL1661078 0.71 HTR2C (0.47) MEN1KMT2AALDH1A1LMNAHTR2C
SCHEMBL28800047 0.67 HTR2C (0.51) HTR1AHTR2BMEN1KMT2AHTR2C
SCHEMBL6546383 0.67 HTR1A (1.00) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL10401478 0.67 PROKR1 (0.52) MEN1KMT2AALDH1A1PROKR1

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-5585374-A Amide derivatives JOHN WYETH BROTHER, LIMITED (GB) 1996-12-17 US claimed