SCHEMBL21780640

SCHEMBL21780640

COc1cc(Cl)nc(Cl)c1CC[C@@H](C)N

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HTR2C P28335 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL21780623 1.00 HTR2A (0.36) HTR2ASLC6A2SLC6A4SLC6A3HTR2C
Hydrochloric Acid SCHEMBL21767605 0.98 HTR2A (0.35) HTR2ASLC6A2SLC6A4SLC6A3HTR2C
Hydrochloric Acid SCHEMBL31072021 0.98 HTR2A (0.35) HTR2ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL28566097 0.80 ALDH1A1 (0.32)
SCHEMBL21767489 0.77 TAS1R3 (0.41)
SCHEMBL21780625 0.77 MEN1 (0.33)
SCHEMBL21780641 0.75 PGK1 (0.40)
Hydrochloric Acid SCHEMBL31071938 0.75 HTR2A (0.33) HTR2ATAAR1
SCHEMBL22734130 0.73 KDM4E (0.30)
SCHEMBL31072039 0.73 ABCB1 (0.38)

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