SCHEMBL4313458

SCHEMBL4313458

CCC(C(=O)c1ccccc1)N1CCC(O)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.59
SLC6A3 Q01959 14/20 0.57
SLC6A2 P23975 12/20 0.57
DRD3 P35462 1/20 0.47
SLC6A4 P31645 8/20 0.47
RAB9A P51151 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
SCHEMBL4939421 0.84 SLC6A3 (0.77) HSP90AA1SLC6A3SLC6A2SLC6A4RAB9A
SCHEMBL11665417 0.83 SLC6A3 (0.75) HSP90AA1SLC6A3SLC6A2SLC6A4RAB9A
SCHEMBL501353 0.81 HSD17B10 (0.61) HSP90AA1SLC6A3SLC6A2DRD3SLC6A4
SCHEMBL7302879 0.81 OPRD1 (0.60) HSP90AA1SLC6A3SLC6A2DRD3SLC6A4
SCHEMBL8669710 0.79 HSD11B1 (0.58) SLC6A3SLC6A2RAB9A
SCHEMBL6642233 0.77 DRD4 (0.52) HSP90AA1
SCHEMBL8431652 0.76 SLC6A3 (0.53) HSP90AA1SLC6A3SLC6A2DRD3SLC6A4
SCHEMBL6397674 0.75 HSP90AA1 (0.47) HSP90AA1SLC6A3SLC6A2SLC6A4
SCHEMBL10811114 0.74 SLC6A3 (0.59) HSP90AA1SLC6A3SLC6A2DRD3SLC6A4
SCHEMBL11614824 0.73 SLC6A2 (0.50) HSP90AA1SLC6A3SLC6A2

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-7498443-B2 Process for production of carebastine ALBANY MOLECULAR RESEARCH, INC. (US) 2009-03-03 US claimed