SCHEMBL14747496

SCHEMBL14747496

CC(C)(C)c1ccc(Sc2ccc(C3CC3NC(=O)CC3CCCC3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
DPP4 P27487 4/20 0.41
MAOA P21397 3/20 0.41
CNR2 P34972 1/20 0.40
KDM1A O60341 5/20 0.39
EPHX1 P07099 2/20 0.37
EPHX2 P34913 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAOB P27338 2/20 0.35
DPP7 Q9UHL4 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL12971902 0.77 KDM1A (0.61) SLC6A2MAOAKDM1ASMN1; SMN2TRPV1
SCHEMBL14747497 0.74 TAS1R3 (0.46) SLC6A2MAOAKDM1AEPHX2SMN1; SMN2
SCHEMBL14747476 0.73 CYP1A2 (0.43) MAOAKDM1AEPHX2KMT2AMAOB
SCHEMBL12976288 0.73 KDM1A (0.46) SLC6A2MAOAKDM1ASMN1; SMN2TRPV1
SCHEMBL14747464 0.72 KDM1A (0.46) MAOAKDM1AEPHX1EPHX2SMN1; SMN2
SCHEMBL2778217 0.69 FFAR1 (0.48) SLC6A2MAOAEPHX2SMN1; SMN2TRPV1
SCHEMBL2778214 0.69 FFAR1 (0.48) SLC6A2MAOAEPHX2SMN1; SMN2TRPV1
SCHEMBL2774128 0.69 SLC6A2 (0.60) SLC6A2SMN1; SMN2TRPV1HPGDNPC1
SCHEMBL2774127 0.69 SLC6A2 (0.60) SLC6A2SMN1; SMN2TRPV1HPGDNPC1
SCHEMBL12971973 0.68 PTGIR (0.42) SLC6A2MAOAKDM1ATRPV1NPC1

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
US-8389580-B2 Arylcyclopropylamines and methods of use DUKE UNIVERSITY (US) 2013-03-05 US disclosed