SCHEMBL172355

SCHEMBL172355

CC[C@H](C)CNCc1ccc(SC)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.49
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4710874 0.81 SLC6A4 (0.49) SLC6A4GAAMEN1KMT2ACYP1A2
SCHEMBL13995738 0.81 SLC6A4 (0.47) SLC6A4GAAMEN1KMT2ACYP1A2
SCHEMBL21799751 0.79 ANPEP (0.50) CYP1A2
SCHEMBL172622 0.79 LMNA (0.63) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL24762812 0.78 MEN1 (0.50) GAAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL12923898 0.78 MEN1 (0.50) GAAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL14266763 0.77 SLC6A4 (0.53) SLC6A4GAAMEN1KMT2ACYP1A2
SCHEMBL24500864 0.76 SLC6A4 (0.63) SLC6A4MAOASLC6A2SLC6A3
SCHEMBL172367 0.75 LMNA (0.44) GAAMEN1KMT2ACYP3A4MAPT
SCHEMBL172625 0.75 LOXL2 (0.55) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed