SCHEMBL28657591

SCHEMBL28657591

NC1CCCC1c1c[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.71
HTR2A P28223 4/20 0.71
HTR2B P41595 4/20 0.71
ADRB2 P07550 1/20 0.55
SLC6A4 P31645 1/20 0.48
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
ADRA1D P25100 2/20 0.44
IDO1 P14902 3/20 0.43
AR P10275 1/20 0.43
LMNA P02545 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
SCHEMBL29287872 0.90 HTR2C (0.75) HTR2CHTR2AHTR2BADRB2SLC6A4
SCHEMBL30298946 0.83 HTR2C (1.00) HTR2CHTR2AHTR2BADRB2SLC6A4
SCHEMBL20656986 0.83 HTR2C (1.00) HTR2CHTR2AHTR2BADRB2SLC6A4
SCHEMBL25545639 0.83 HTR2C (1.00) HTR2CHTR2AHTR2BADRB2SLC6A4
SCHEMBL20656985 0.83 HTR2C (1.00) HTR2CHTR2AHTR2BADRB2SLC6A4
SCHEMBL19889366 0.81 HTR2C (0.57) HTR2CHTR2AHTR2BADRB2SLC6A4
SCHEMBL3239993 0.81 HTR2C (0.57) HTR2CHTR2AHTR2BADRB2SLC6A4
SCHEMBL8409219 0.79 HTR2A (0.50) HTR2CHTR2AHTR2BSLC6A4KDM4E
SCHEMBL7819547 0.79 HTR2A (0.50) HTR2CHTR2AHTR2BSLC6A4KDM4E
SCHEMBL8407526 0.79 HTR2C (0.44) HTR2CHTR2AHTR2BADRB2SLC6A4

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-108864080-B Tetracyclic compounds as selective estrogen receptor down-regulating agents and application thereof 南京圣和药业股份有限公司 2021-10-15 CN disclosed