SCHEMBL4682346

SCHEMBL4682346

NCC[N]C(=O)Cc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
HPGD P15428 3/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
POLB P06746 3/20 0.44
MAPK8 P45983 1/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL7674918 0.75 HPGD (0.51) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL28879909 0.75 TAAR1 (0.53) TAAR1HPGDALDH1A1NPC1MEN1
SCHEMBL4679765 0.74 KMT2A (0.44) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL4517920 0.73 TAAR1 (0.55) TAAR1HPGDALDH1A1NPC1MEN1
SCHEMBL4775992 0.73 HPGD (0.53) TAAR1HPGDALDH1A1NPC1MEN1
SCHEMBL114600 0.72
SCHEMBL4701549 0.72 PKM (0.48) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL7353467 0.72 HPGD (0.60) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL4528691 0.72 CES1 (0.48) TAAR1ALDH1A1MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4775231 0.72 HPGD (0.51) TAAR1HPGDALDH1A1NPC1MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP disclosed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP disclosed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US disclosed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO disclosed