SCHEMBL17985446

SCHEMBL17985446

CC(C)(C)OC(=O)NCC1CC1c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
DRD2 P14416 1/20 0.42
ACACB O00763 5/20 0.41
MTNR1B P49286 3/20 0.40
ACACA Q13085 3/20 0.40
IDO1 P14902 1/20 0.39
NAMPT P43490 1/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
MTNR1A P48039 2/20 0.38
KDM4A O75164 1/20 0.38

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
SCHEMBL4126397 0.86 DRD2 (0.41) HTR2AHTR2CHTR2BDRD2ACACB
SCHEMBL4126395 0.86 DRD2 (0.41) HTR2AHTR2CHTR2BDRD2ACACB
SCHEMBL4134674 0.86 HTR2C (0.50) HTR2AHTR2CHTR2BDRD2ACACB
SCHEMBL4134676 0.86 HTR2C (0.50) HTR2AHTR2CHTR2BDRD2ACACB
SCHEMBL13742044 0.85 ACACB (0.43) DRD2ACACBMTNR1BACACAIDO1
SCHEMBL13742538 0.85 MTNR1B (0.41) DRD2ACACBMTNR1BACACAIDO1
SCHEMBL14797776 0.85 NQO2 (0.41) HTR2AHTR2CDRD2ACACBACACA
SCHEMBL14797777 0.85 NQO2 (0.41) HTR2AHTR2CDRD2ACACBACACA
SCHEMBL14802708 0.84 SERPINE1 (0.38) HTR2AHTR2CHTR2BDRD2ACACB
SCHEMBL23544489 0.83 IDO1 (0.40) HTR2AHTR2CHTR2BDRD2ACACB

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-2016123164-A1 CYCLOPROPYLMETHANAMINES AS SELECTIVE 5-HT(2C) RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-08-04 WO disclosed