SCHEMBL14747464

SCHEMBL14747464

O=C(CC1CCCC1)NC1CC1c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.46
MAOA P21397 6/20 0.46
MAOB P27338 6/20 0.46
EPHX2 P34913 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
EPHX1 P07099 1/20 0.43
NPY5R Q15761 1/20 0.42

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
SCHEMBL14747497 0.83 TAS1R3 (0.46) KDM1AMAOAMAOBEPHX2SMN1; SMN2
SCHEMBL14747476 0.81 CYP1A2 (0.43) KDM1AMAOAMAOBEPHX2RAB9A
SCHEMBL2776196 0.80 SMN1; SMN2 (0.55) KDM1AMAOAMAOBEPHX2SMN1; SMN2
SCHEMBL2776191 0.80 SMN1; SMN2 (0.55) KDM1AMAOAMAOBEPHX2SMN1; SMN2
SCHEMBL7475866 0.76 MMP3 (0.51) EPHX2SMN1; SMN2
SCHEMBL10133116 0.73 RAB9A (0.77) EPHX2SMN1; SMN2NPC1RAB9ANPY5R
SCHEMBL12972001 0.72 KDM1A (0.71) KDM1AMAOAMAOBEPHX2SMN1; SMN2
SCHEMBL15091992 0.72 KDM1A (0.71) KDM1AMAOAMAOBEPHX2SMN1; SMN2
SCHEMBL14747496 0.72 SLC6A2 (0.43) KDM1AMAOAMAOBEPHX2SMN1; SMN2
SCHEMBL22622348 0.72 KDM1A (0.57) KDM1AMAOBEPHX2SMN1; SMN2NPSR1

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