SCHEMBL8001348

SCHEMBL8001348

CCn1cc(Sc2ccc(Cl)cc2)c(-c2ccc(CCCC(=O)NC)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPY5R Q15761 1/20 0.35
POLB P06746 3/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1535270 0.74 FAAH (0.64) FAAHKCNH2
SCHEMBL6847096 0.73 HDAC1 (0.65) HDAC1HDAC7HDAC3HDAC4HDAC2
SCHEMBL1963193 0.69 FAAH (0.47) FAAHKCNH2LMNASMN1; SMN2L3MBTL1
SCHEMBL12552319 0.69 FAAH (0.56) FAAHKCNH2MAPT
SCHEMBL8002929 0.67 FAAH (0.44) FAAHKCNH2TP53
SCHEMBL8007808 0.67 FAAH (0.42) FAAHKCNH2
SCHEMBL12552323 0.67 FAAH (0.45) FAAHKCNH2
SCHEMBL16105493 0.66 MAPK14 (0.53) KCNH2
SCHEMBL1961300 0.65 FAAH (0.39) FAAHKCNH2TP53ALDH1A1MAPT
SCHEMBL6241724 0.65 CYP1A2 (0.57) HDAC1HDAC7HDAC3HDAC4HDAC2

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-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 WO disclosed