SCHEMBL5044937

SCHEMBL5044937

N#Cc1cccc(CC(NC(=O)C(=O)O)c2ccc(-c3cccc(C(=O)NCCCc4ccccc4)c3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.44
KDM4B O94953 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NAMPT P43490 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
FAAH O00519 1/20 0.41
PIN1 Q13526 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
ROCK2 O75116 1/20 0.41
MAPT P10636 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL5047059 0.88 GPR139 (0.45) GPR139CTSLCTSBCTSSCTSK
SCHEMBL5047048 0.87 EPHX2 (0.41) GPR139CTSLCTSBCTSSCTSK
SCHEMBL5048049 0.86 GAA (0.39) NPC1RAB9AGPR139CTSLCTSB
SCHEMBL6022596 0.86 F10 (0.49) F10KDM4BNPC1RAB9ANAMPT
SCHEMBL5047546 0.80 NPC1 (0.50) F10KDM4BNPC1RAB9ANAMPT
SCHEMBL1856432 0.79 F10 (0.47) F10KDM4BNPC1RAB9ANAMPT
SCHEMBL5044420 0.73 GPR139 (0.46) F10ALDH1A1GPR139CTSLCTSB
SCHEMBL5047162 0.72 HDAC1 (0.44) SMN1; SMN2ALDH1A1HDAC1HDAC2
SCHEMBL5039660 0.72 HDAC1 (0.44) SMN1; SMN2ALDH1A1HDAC1HDAC2
SCHEMBL5046973 0.72 UTS2R (0.47) RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed