SCHEMBL21985303

SCHEMBL21985303

CC1(C2CCNCC2)Cc2ccc(C(F)(F)F)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.42
HTR2A P28223 3/20 0.42
HTR2B P41595 3/20 0.42
PNMT P11086 4/20 0.35
MAPK1 P28482 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL21984962 0.85 GPR119 (0.39) HTR2CHTR2AMAPK1SLC6A2SLC6A4
SCHEMBL19409649 0.75 HTR2C (0.38) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL19030789 0.73 HIF1A (0.36) HTR2CHTR2A
SCHEMBL21984765 0.71 GPR119 (0.39) SLC6A2SLC6A4MEN1KMT2ATMEM97
SCHEMBL19409506 0.70 MGLL (0.54)
SCHEMBL19409508 0.70 MGLL (0.54)
SCHEMBL15075072 0.66 TRPV1 (0.39) HTR2CHTR2AHTR2B
SCHEMBL27837691 0.64 TDP2 (0.43)
SCHEMBL4243005 0.64 HTR2C (0.45) HTR2CSLC6A2SLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL31136299 0.63 HTR2A (0.34) HTR2CHTR2AHTR2BPNMT

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-3436444-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-05-13 EP disclosed