SCHEMBL13626312

SCHEMBL13626312

CC(=O)NC1(C)Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
CYP1A2 P05177 1/20 0.37
ADRA2A P08913 1/20 0.37
MAOA P21397 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
NOTUM Q6P988 2/20 0.37
HDAC9 Q9UKV0 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NAMPT P43490 1/20 0.36
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2464897 0.83 HDAC9 (0.44) ALDH1A1HDAC9MTNR1AMTNR1B
SCHEMBL21376364 0.80 KDM1A (0.46) HDAC9
SCHEMBL14037744 0.76 HDAC9 (0.41) ALDH1A1HTR2CHTR2BCYP1A2ADRA2A
SCHEMBL2590935 0.75 HTR2A (0.39) HTR2A
SCHEMBL13626308 0.72 MTNR1A (0.46) MTNR1AMTNR1BLMNA
SCHEMBL28770234 0.71 SMN1; SMN2 (0.38) ALDH1A1MAOANOTUMMTNR1AMTNR1B
SCHEMBL10691252 0.70 ALDH1A1 (0.33) ALDH1A1HTR2CHTR2BCYP1A2ADRA2A
SCHEMBL5970889 0.70 HDAC9 (0.45) HDAC9MTNR1AMTNR1BLMNAHTT
Bromide SCHEMBL10516381 0.70 MTNR1A (0.36) ALDH1A1HTR2CHTR2BCYP1A2ADRA2A
SCHEMBL20738653 0.69 HDAC9 (0.41) HDAC9MTNR1AMTNR1B

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
WO-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 WO disclosed