SCHEMBL28823708

SCHEMBL28823708

O=CC1NCCCc2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.47
PARP10 Q53GL7 2/20 0.36
PARP11 Q9NR21 1/20 0.36
KDM1A O60341 6/20 0.36
PNMT P11086 3/20 0.36
ASIC3 Q9UHC3 1/20 0.36
SRD5A1 P18405 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
PARP1 P09874 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL27708455 0.91 KDM1A (0.43) CAMK2APARP10PARP11KDM1APNMT
SCHEMBL28823682 0.82 HTR2C (0.43) PARP10KDM1APNMTSRD5A1HTR2A
SCHEMBL27760113 0.81 PNMT (0.44) CAMK2AKDM1APNMTASIC3ADRA2A
SCHEMBL28823725 0.81 LRRK2 (0.42) KDM1APNMT
SCHEMBL28823672 0.79 HTR2C (0.49) KDM1ASRD5A1HTR2AHTR2CHTR2B
SCHEMBL27797441 0.78 HTR2A (0.50) PARP10PARP11KDM1APNMTASIC3
SCHEMBL28967711 0.78 PRCP (0.42) CAMK2AADRA2A
SCHEMBL28823799 0.76 PPARD (0.41) HTR2C
SCHEMBL28823734 0.76 CA1 (0.50) PARP1MEN1KMT2A
SCHEMBL25296796 0.74 CMA1 (0.33) PARP10PARP11KDM1APNMTASIC3

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-114929691-A Bicyclic compounds and uses thereof 爱思开生物制药株式会社 2022-08-19 CN disclosed