SCHEMBL7963558

SCHEMBL7963558

CNC(=O)[N]CCc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 4/20 0.50
ALOX15 P16050 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 5/20 0.44
CYP2C19 P33261 2/20 0.44
HRH1 P35367 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 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
SCHEMBL12851363 0.76 HRH3 (0.56) HRH3LMNATDP1ALDH1A1ALOX15
SCHEMBL9059102 0.73 HRH1 (0.49) HRH3LMNATDP1ALDH1A1ALOX15
SCHEMBL13853783 0.73 CNR1 (0.62) HRH3LMNATDP1ALDH1A1ALOX15
SCHEMBL16561480 0.73 SMN1; SMN2 (0.60) HRH3LMNATDP1ALDH1A1ALOX15
SCHEMBL21122917 0.72 HRH1 (0.55) HRH3LMNATDP1ALDH1A1ALOX15
SCHEMBL3581477 0.72 HRH1 (0.55) HRH3LMNATDP1ALDH1A1ALOX15
SCHEMBL375097 0.72 HRH1 (0.55) HRH3LMNATDP1ALDH1A1ALOX15
SCHEMBL8282497 0.72 NPC1 (0.57) HRH3LMNATDP1ALDH1A1ALOX15
SCHEMBL5499742 0.72 HRH1 (0.59) HRH3LMNATDP1ALDH1A1ALOX15
SCHEMBL1032275 0.71 SMN1; SMN2 (0.53) HRH3LMNATDP1ALDH1A1ALOX15

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-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed