SCHEMBL22271066

SCHEMBL22271066

CCCc1ccc(CC(Nc2ccc(-c3nccnc3-c3ccc(Cl)cc3F)cc2)=C2CCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 3/20 0.35
▸ CNR1 P21554 5/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ACP1 P24666 1/20 0.31
▸ MME P08473 2/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ NAMPT P43490 1/20 0.30
▸ GCGR P47871 1/20 0.30

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
SCHEMBL22270537 0.87 MAPT (0.36) MAPT
SCHEMBL22270563 0.82 WNT3A (0.39) RORCMAPT
SCHEMBL22270880 0.80 LMNA (0.37) MAPTNAMPT
SCHEMBL22270887 0.78 KDM4E (0.40) MAPTMCHR1
SCHEMBL22270886 0.77 L3MBTL1 (0.35) MAPT
SCHEMBL22271073 0.76 CCR1 (0.32) —
SCHEMBL22270885 0.75 RORC (0.35) RORCMAPT
SCHEMBL22270626 0.74 KDR (0.35) RORCMAPT
SCHEMBL19205766 0.73 RORC (0.48) RORCMAPT
SCHEMBL22271071 0.71 CNR1 (0.39) CNR1CNR2

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-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
Send feedback