SCHEMBL28021683

SCHEMBL28021683

COc1ccc2c(c1)C(N)(O)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 4/20 0.49
SIGMAR1 Q99720 4/20 0.48
ADRB2 P07550 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
HRH1 P35367 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
HTR5A P47898 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KDM1A O60341 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL2981802 0.81 POLA1 (0.50) POLA1SIGMAR1ADRB2HTR1AADRA2A
SCHEMBL29337389 0.79 CYP3A4 (0.49) POLA1SIGMAR1ADRB2HTR1AADRA2A
SCHEMBL18793793 0.79 CYP3A4 (0.49) POLA1SIGMAR1ADRB2HTR1AADRA2A
SCHEMBL9628555 0.79 SIGMAR1 (0.45) POLA1SIGMAR1ADRB2HTR1AADRA2A
SCHEMBL18793785 0.79 CYP3A4 (0.49) POLA1SIGMAR1ADRB2HTR1AADRA2A
SCHEMBL13647384 0.78 ADRA2A (0.49) POLA1SIGMAR1ADRB2HTR1AADRA2A
SCHEMBL7402146 0.78 KDM4E (0.52) POLA1SIGMAR1ADRB2HTR1AADRA2A
SCHEMBL7446695 0.78 POLA1 (0.45) POLA1SIGMAR1ADRB2HTR1AADRA2A
SCHEMBL30089469 0.77 CYP3A4 (0.52) POLA1SIGMAR1ADRB2HTR1AADRA2A
SCHEMBL1091487 0.77 CYP3A4 (0.52) POLA1SIGMAR1ADRB2HTR1AADRA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085285-A Method for preparing R-6-methoxy-1-aminoindane WU LING 2015-11-25 CN disclosed
CN-105001104-A Method for preparing S-6-methoxy-1-aminoindane WU LING 2015-10-28 CN disclosed