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SCHEMBL28638482

SCHEMBL28638482

CCC(F)(F)c1ccc(CC(=O)Nc2ccc(-c3nccnc3OCCc3ccccc3Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNJ5 P48544 2/20 0.49
▸ KCNJ3 P48549 2/20 0.49
▸ TRPV1 Q8NER1 3/20 0.43
▸ NR2E1 Q9Y466 2/20 0.41
▸ RORA P35398 1/20 0.41
▸ RORC P51449 7/20 0.40
▸ WNT3A P56704 1/20 0.39
▸ P2RX4 Q99571 1/20 0.39
▸ RET P07949 2/20 0.38

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
SCHEMBL28645373 0.89 KCNJ5 (0.47) KCNJ5KCNJ3TRPV1NR2E1RORA
SCHEMBL28638477 0.89 KCNJ5 (0.47) KCNJ5KCNJ3TRPV1NR2E1RORA
SCHEMBL28634242 0.89 RORC (0.37) KCNJ5KCNJ3TRPV1RORCWNT3A
SCHEMBL19205625 0.88 KCNJ5 (0.46) KCNJ5KCNJ3TRPV1RORCWNT3A
SCHEMBL19205812 0.85 NPC1 (0.45) RORCWNT3ARET
SCHEMBL18447804 0.84 RORC (0.44) KCNJ5KCNJ3TRPV1NR2E1RORA
SCHEMBL18447805 0.84 RORC (0.44) KCNJ5KCNJ3TRPV1NR2E1RORA
SCHEMBL19205794 0.84 RORC (0.44) KCNJ5KCNJ3TRPV1NR2E1RORA
SCHEMBL18449588 0.84 RORC (0.47) KCNJ5KCNJ3TRPV1NR2E1RORA
SCHEMBL18449638 0.83 RORC (0.40) KCNJ5KCNJ3TRPV1RORCWNT3A

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
CN-108026050-B Novel compounds as ROR gamma modulators 格兰马克药品股份有限公司 2021-04-30 — — CN claimed
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