SCHEMBL8274236

SCHEMBL8274236

CCCCOC(=O)C(N)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PDE4D Q08499 1/20 0.43
HTR7 P34969 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 2/20 0.41
ESR1 P03372 2/20 0.41
CYP2D6 P10635 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
SCHEMBL13387443 0.92 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1HPGDNPC1RAB9A
SCHEMBL13290804 0.86 TSHR (0.57) SMN1; SMN2L3MBTL1HPGDNPC1RAB9A
SCHEMBL12859656 0.86 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1HPGDNPC1RAB9A
SCHEMBL11493211 0.84 FAAH (0.48) FAAHSMN1; SMN2L3MBTL1HPGDNPC1
SCHEMBL8356570 0.84 TSHR (0.53) SMN1; SMN2L3MBTL1NPC1RAB9ATSHR
SCHEMBL3806764 0.84 TSHR (0.53) SMN1; SMN2L3MBTL1NPC1RAB9ATSHR
SCHEMBL512726 0.83 MAPT (0.46) SMN1; SMN2HPGDNPC1RAB9ALMNA
SCHEMBL27904059 0.83 TSHR (0.53) SMN1; SMN2TSHRLMNACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL5966959 0.82 MAPT (0.45) SMN1; SMN2HPGDNPC1RAB9ALMNA
SCHEMBL2746868 0.82 LMNA (0.58) SMN1; SMN2TSHRLMNAMAPK1

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-2006009645-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA, INC. (US) 2006-01-26 WO disclosed