SCHEMBL21574014

SCHEMBL21574014

CCC1CC(C)C(CNCc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
CXCR4 P61073 3/20 0.42
HTR2A P28223 1/20 0.41
FUCA1 P04066 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAN1B1 Q9UKM7 1/20 0.38

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
SCHEMBL2019717 0.89 HTR2C (0.64) HTR2CCXCR4HTR2AFUCA1MEN1
SCHEMBL2019718 0.89 HTR2C (0.64) HTR2CCXCR4HTR2AFUCA1MEN1
SCHEMBL29307478 0.88 HTR2C (0.50) HTR2CCXCR4HTR2AFUCA1MEN1
Hydrochloric Acid SCHEMBL4523862 0.87 HTR2C (0.62) HTR2CCXCR4HTR2AFUCA1MEN1
SCHEMBL20858886 0.74 HTR2A (0.43) HTR2CHTR2AFUCA1
SCHEMBL2018777 0.72 HTR2A (0.51) HTR2CHTR2AFUCA1
SCHEMBL13922494 0.70 GRIN2B (0.51) FUCA1MEN1KMT2A
SCHEMBL4137817 0.69 HTR2C (1.00) HTR2CHTR2AMEN1KMT2ATDP1
SCHEMBL4137819 0.69 HTR2C (1.00) HTR2CHTR2AMEN1KMT2ATDP1
SCHEMBL17656855 0.69 CXCR4 (0.59) HTR2CCXCR4HTR2AFUCA1MEN1

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-3569593-A1 PRODUCTION OF AMINES VIA A HYDROAMINOMETHYLATION REACTION Universität Wien (AT) 2019-11-20 EP disclosed