SCHEMBL21780604

SCHEMBL21780604

CC1(C)CCO[C@H](c2ccccc2Br)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
RCOR1 Q9UKL0 1/20 0.39
HTR2B P41595 7/20 0.36
HTR2C P28335 6/20 0.36
HTR2A P28223 4/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
BRD4 O60885 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MAP1LC3B Q9GZQ8 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL21767756 1.00 KDM1A (0.39) KDM1ARCOR1HTR2BHTR2CHTR2A
SCHEMBL31071952 1.00 KDM1A (0.39) KDM1ARCOR1HTR2BHTR2CHTR2A
SCHEMBL28247206 0.84 KDM1A (0.37) KDM1ARCOR1HTR2BHTR2CHTR2A
SCHEMBL21780606 0.74 HTR2B (0.37) KDM1ARCOR1HTR2BHTR2CHTR2A
SCHEMBL28841128 0.73 HTR2B (0.38) KDM1ARCOR1HTR2BHTR2CHTR2A
SCHEMBL10300817 0.70 HTR2C (0.47) KDM1ARCOR1HTR2BHTR2CHTR2A
SCHEMBL7440746 0.70 HTR2C (0.47) KDM1ARCOR1HTR2BHTR2CHTR2A
SCHEMBL30036946 0.70 HTR2C (0.47) KDM1ARCOR1HTR2BHTR2CHTR2A
SCHEMBL2177894 0.69 HTR2C (0.40) KDM1ARCOR1HTR2BHTR2CHTR2A
SCHEMBL15741269 0.69 HTR2C (0.40) KDM1AHTR2BHTR2CHTR2ASLC6A2

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
EP-3617206-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2020-03-04 EP disclosed