SCHEMBL28634242

SCHEMBL28634242

CCC(F)(F)c1ccc(CC(=O)Nc2ccc(-c3nccnc3OCCc3ccccc3C3CC3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 6/20 0.37
▸ P2RX7 Q99572 2/20 0.37
▸ KCNJ5 P48544 1/20 0.37
▸ KCNJ3 P48549 1/20 0.37
▸ WNT3A P56704 1/20 0.36
▸ RET P07949 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ FPR1 P21462 1/20 0.34
▸ FPR2 P25090 1/20 0.34

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
SCHEMBL28638482 0.89 KCNJ5 (0.49) RORCKCNJ5KCNJ3WNT3ARET
SCHEMBL18449668 0.84 RORC (0.37) RORCP2RX7WNT3ALMNAHTT
SCHEMBL19205812 0.81 NPC1 (0.45) RORCWNT3ARETLMNANPC1
SCHEMBL28638477 0.79 KCNJ5 (0.47) RORCKCNJ5KCNJ3WNT3ARET
SCHEMBL28645373 0.79 KCNJ5 (0.47) RORCKCNJ5KCNJ3WNT3ARET
SCHEMBL18448279 0.79 WNT3A (0.54) RORCWNT3ARETLMNAHTT
SCHEMBL18448341 0.78 RORC (0.52) RORCKCNJ5KCNJ3RETCYP2D6
SCHEMBL21133947 0.77 RORC (0.44) RORCKCNJ5KCNJ3WNT3ARET
SCHEMBL19205625 0.77 KCNJ5 (0.46) RORCKCNJ5KCNJ3WNT3ALMNA
SCHEMBL18449671 0.77 RAB9A (0.49) RORCWNT3ANPC1CYP2D6PSEN1

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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