SCHEMBL29470980

SCHEMBL29470980

CCc1ccccc1-c1nccnc1-c1ccc(NC(=O)Cc2ccc(C(F)(F)[C@H](C)O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 12/20 0.42
▸ WNT3A P56704 1/20 0.42
▸ RET P07949 2/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ KCNJ5 P48544 1/20 0.39
▸ KCNJ3 P48549 1/20 0.39

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
SCHEMBL29470977 1.00 RORC (0.42) RORCWNT3ARETADRB2ADRB1
SCHEMBL29471014 1.00 RORC (0.42) RORCWNT3ARETADRB2ADRB1
SCHEMBL29470978 1.00 RORC (0.42) RORCWNT3ARETADRB2ADRB1
SCHEMBL19205759 1.00 RORC (0.42) RORCWNT3ARETADRB2ADRB1
SCHEMBL19205716 1.00 RORC (0.42) RORCWNT3ARETADRB2ADRB1
SCHEMBL18448791 1.00 RORC (0.42) RORCWNT3ARETADRB2ADRB1
SCHEMBL26382805 0.90 RORC (0.42) RORCWNT3ARETADRB2ADRB1
SCHEMBL18449666 0.89 RORC (0.44) RORCWNT3ARETCYP2D6PSEN1
SCHEMBL21133947 0.88 RORC (0.44) RORCWNT3ARETCYP2D6PSEN1
SCHEMBL29471013 0.88 RORC (0.46) RORCWNT3ARETCYP2D6PSEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4208449-A1 POLYMORPHIC FORMS OF A RORGAMMA INHIBITING COMPOUND AND PROCESSES FOR ITS PREPARATION Glenmark Specialty S.A. (CH) 2023-07-12 — — EP claimed
WO-2022049534-A1 POLYMORPHIC FORMS OF A RORΓ INHIBITING COMPOUND AND PROCESSES FOR ITS PREPARATION GLENMARK SPECIALTY S.A. (CH) 2022-03-10 — — WO claimed
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