SCHEMBL7707901

SCHEMBL7707901

NCCCCCCN(C(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[C@H]1CCCCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MC4R P32245 3/20 0.42
MC5R P33032 3/20 0.42
MC3R P41968 3/20 0.42
USP30 Q70CQ3 1/20 0.41
HDAC1 Q13547 1/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
CCR5 P51681 1/20 0.36
CTSK P43235 1/20 0.36
KCNH2 Q12809 1/20 0.36
F2 P00734 1/20 0.35
EPHX1 P07099 1/20 0.35
ABCC4 O15439 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 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
SCHEMBL7704806 1.00 CTSC (0.44) CTSCALDH1A1MEN1KMT2AMC4R
SCHEMBL7702120 1.00 CTSC (0.44) CTSCALDH1A1MEN1KMT2AMC4R
SCHEMBL7710700 0.87 HTR2C (0.51) KMT2AHDAC1SMN1; SMN2CCR5KCNH2
SCHEMBL7704731 0.87 HTR2C (0.51) KMT2AHDAC1SMN1; SMN2CCR5KCNH2
SCHEMBL7704744 0.74 PRCP (0.41)
SCHEMBL7702119 0.74 HTR2C (0.49) KMT2AHDAC1SMN1; SMN2CCR5KCNH2
SCHEMBL7707952 0.73 SIGMAR1 (0.42) MC4RMC5RMC3R
SCHEMBL7707925 0.73 SIGMAR1 (0.42) MC4RMC5RMC3R
SCHEMBL194737 0.73 SCN4A (0.43) CTSCALDH1A1HDAC1HTR2CSCN4A
SCHEMBL6970522 0.73 POLB (0.43) CTSCALDH1A1HTR2CSCN4A

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-1263730-A1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS Applied Research Systems ARS Holding N.V. (AN) 2002-12-11 EP disclosed
WO-2001060798-A1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-08-23 WO disclosed