SCHEMBL21733885

SCHEMBL21733885

Cn1cc(C2CCCCC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.45
HSD11B1 P28845 1/20 0.43
CYP11B2 P19099 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
SPR P35270 1/20 0.40
USP30 Q70CQ3 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDR P35968 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
AXL P30530 1/20 0.36
RIPK1 Q13546 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL25048372 0.98 CREBBP (0.44) CREBBPHSD11B1CYP11B2HCAR2SPR
SCHEMBL25731550 0.94 HSD11B1 (0.44) CREBBPHSD11B1CYP11B2HCAR2SPR
SCHEMBL16131370 0.89
SCHEMBL25841555 0.82 PIM1 (0.42) HSD11B1HCAR2
SCHEMBL17940604 0.80 SLC18A3 (0.44) HSD11B1HCAR2KMT2AMEN1
SCHEMBL21733946 0.80 HSD11B1 (0.39) CREBBPHSD11B1HCAR2SPRUSP30
SCHEMBL23108063 0.80 HSD11B1 (0.44) HSD11B1HCAR2SPRUSP30PROKR1
SCHEMBL29338117 0.80 HSD11B1 (0.44) HSD11B1HCAR2SPRUSP30PROKR1
SCHEMBL22945192 0.80 CHEK1 (0.48)
SCHEMBL26773883 0.80 CREBBP (0.38) CREBBPHSD11B1HCAR2SPRUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022268052-A9 (R) -GLUTARIMIDE CRBN LIGANDS AND METHODS OF USE BEIGENE, LTD. (KY) 2023-08-17 WO disclosed
WO-2022268052-A1 (R) -GLUTARIMIDE CRBN LIGANDS AND METHODS OF USE BEIGENE, LTD. (KY) 2022-12-29 WO disclosed
EP-3125883-B1 INDOLE DERIVATIVES FOR USE IN MEDICINE IOMET PHARMA LTD (GB) 2020-08-12 EP disclosed
WO-2020036979-A1 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 WO disclosed
CN-102395585-A Heteroaryls and their use as pi3k inhibitors MILLENNIUM PHARM INC 2012-03-28 CN disclosed