SCHEMBL4000751

SCHEMBL4000751

CN1C(=O)COc2ccc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)C3(CC4CC4)CCNCC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.36
HTR1A P08908 4/20 0.36
HTR2C P28335 2/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
CTSC P53634 1/20 0.34
USP30 Q70CQ3 1/20 0.34
TSHR P16473 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
PIK3CG P48736 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL3996741 0.84 PARP1 (0.41) HTR1ADRD2HTR2A
SCHEMBL3997770 0.82 TACR1 (0.36) TACR1CTSC
SCHEMBL3998206 0.80 PARP1 (0.40) DRD2
SCHEMBL3995308 0.80 PIM1 (0.35) TACR1CTSC
SCHEMBL4000695 0.79 PARP1 (0.39) TACR1HTR1ADRD2HTR2A
SCHEMBL4000741 0.78 HTR1A (0.41) TACR1HTR1AHTR2C
SCHEMBL4728919 0.78 TACR1 (0.36) TACR1DRD2
SCHEMBL4001725 0.77 TACR1 (0.39) TACR1TSHR
SCHEMBL4730592 0.76 TACR1 (0.35) TACR1MAPT
SCHEMBL3788102 0.75 CCR2 (0.43) HTR1AHTR2CUSP30TSHRHTR1D

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
WO-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 WO disclosed