SCHEMBL28402829

SCHEMBL28402829

CCC1CCNCC1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
KDM1A O60341 8/20 0.47
MAOB P27338 6/20 0.47
CCR5 P51681 1/20 0.47
MAOA P21397 2/20 0.46
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
CISD1 Q9NZ45 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL1095613 0.83 MAPT (0.49) MAPTPKMKDM1AMAOBCCR5
Hydrochloric Acid SCHEMBL31088592 0.82 CCR5 (0.53) MAPTPKMKDM1AMAOBCCR5
SCHEMBL6438889 0.77 KDM1A (0.54) MAPTPKMKDM1AMAOBMAOA
SCHEMBL10682790 0.77 KDM1A (0.54) MAPTPKMKDM1AMAOBMAOA
SCHEMBL6438894 0.77 KDM1A (0.54) MAPTPKMKDM1AMAOBMAOA
SCHEMBL10682798 0.77 KDM1A (0.54) MAPTPKMKDM1AMAOBMAOA
SCHEMBL19908542 0.77 KDM1A (0.50) MAPTPKMKDM1AMAOBCCR5
SCHEMBL19341986 0.77 KDM1A (0.50) MAPTPKMKDM1AMAOBCCR5
SCHEMBL4709103 0.75 GBA1 (0.53) SLC6A2SLC6A4
SCHEMBL23185437 0.74 MEN1 (0.46) MAOBHTR2A

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
CN-111183133-A Microbicidal picolinamide derivatives 先正达参股股份有限公司 2020-05-19 CN disclosed