SCHEMBL21796352

SCHEMBL21796352

CC(Oc1nccnc1-c1ccc(NC(=O)Cc2ccc(C(F)(F)C(C)O)cc2)cc1)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 5/20 0.44
▸ TRPV1 Q8NER1 6/20 0.41
▸ KCNJ5 P48544 1/20 0.41
▸ KCNJ3 P48549 1/20 0.41
▸ LPAR1 Q92633 2/20 0.40
▸ RORB Q92753 1/20 0.40
▸ WNT3A P56704 1/20 0.38
▸ RET P07949 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ LPAR2 Q9HBW0 1/20 0.36
▸ LPAR3 Q9UBY5 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL18447911 1.00 RORC (0.44) RORCTRPV1KCNJ5KCNJ3LPAR1
SCHEMBL19205696 1.00 RORC (0.44) RORCTRPV1KCNJ5KCNJ3LPAR1
SCHEMBL18447804 0.90 RORC (0.44) RORCTRPV1KCNJ5KCNJ3LPAR1
SCHEMBL19205794 0.90 RORC (0.44) RORCTRPV1KCNJ5KCNJ3LPAR1
SCHEMBL18447805 0.90 RORC (0.44) RORCTRPV1KCNJ5KCNJ3LPAR1
SCHEMBL19205562 0.90 RORC (0.41) RORCTRPV1RORBWNT3ANPC1
SCHEMBL21796355 0.90 RORC (0.41) RORCTRPV1RORBWNT3ANPC1
SCHEMBL19205697 0.86 KCNJ5 (0.48) RORCTRPV1KCNJ5KCNJ3WNT3A
SCHEMBL28638477 0.85 KCNJ5 (0.47) RORCTRPV1KCNJ5KCNJ3WNT3A
SCHEMBL28645373 0.85 KCNJ5 (0.47) RORCTRPV1KCNJ5KCNJ3WNT3A

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-3331863-B1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2020-03-11 — — EP claimed
Send feedback