SCHEMBL172622

SCHEMBL172622

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

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.54
CHRM2 P08172 1/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.43
DNM1 Q05193 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL170986 0.82 LMNA (0.64) LMNAL3MBTL1CHRM2NPC1HPGD
SCHEMBL21799751 0.81 ANPEP (0.50) LMNAL3MBTL1CYP2D6ALDH1A1
SCHEMBL24762812 0.81 MEN1 (0.50) CHRM2DNM1CYP3A4CYP2D6ALDH1A1
SCHEMBL12923898 0.81 MEN1 (0.50) CHRM2DNM1CYP3A4CYP2D6ALDH1A1
SCHEMBL13330952 0.79 LMNA (0.60) LMNAL3MBTL1CHRM2NPC1HPGD
SCHEMBL13995701 0.79 LMNA (0.60) LMNAL3MBTL1CHRM2NPC1HPGD
SCHEMBL172355 0.79 SLC6A4 (0.49) NPC1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL15163968 0.78 LMNA (1.00) LMNAL3MBTL1CHRM2MAPK1CYP3A4
SCHEMBL172367 0.78 LMNA (0.44) LMNAMAPK1CYP3A4ALDH1A1MEN1
SCHEMBL172625 0.77 LOXL2 (0.55) LMNAHPGDCYP2D6CYP2C9CYP2C19

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