SCHEMBL21619929

SCHEMBL21619929

CCCCOC[C@@H]1CCC(c2ccc(C(F)(F)F)cc2)CN1c1ccc(C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
REN P00797 1/20 0.33
LIPE Q05469 1/20 0.33
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 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
SCHEMBL21616633 0.86 LIPC (0.40) LIPCLIPGTSHRNOD2NOD1
SCHEMBL21620204 0.85 FPR1 (0.34) FPR1FPR2KDM1ARCOR1HTR2C
SCHEMBL28535402 0.85 HSD11B1 (0.38) HTR2C
SCHEMBL28532617 0.78 LIPC (0.40) LIPCLIPGALDH1A1POLBTSHR
SCHEMBL30474464 0.78 KDM1A (0.35) DRD2DRD4FPR1FPR2KDM1A
SCHEMBL28526782 0.77 CYP3A4 (0.44) FPR1FPR2ALDH1A1POLBTSHR
SCHEMBL23632088 0.77 P2RY14 (0.38) LIPGFPR1FPR2CCR2
SCHEMBL21616645 0.77 P2RY14 (0.38) LIPGFPR1FPR2CCR2
SCHEMBL28614536 0.77 P2RY14 (0.38) LIPGFPR1FPR2CCR2
SCHEMBL28626815 0.77 P2RY14 (0.38) LIPGFPR1FPR2CCR2

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-2020011147-A1 RORγ ANTAGONIST AND APPLICATION THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-01-16 WO disclosed