SCHEMBL29190150

SCHEMBL29190150

Cn1cnnc1-c1c(-c2ccccc2)cccc1-c1nc2cccc(C(F)(F)F)c2o1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ C1R P00736 1/20 0.42
▸ HSD11B1 P28845 10/20 0.40
▸ CBLB Q13191 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NOTUM Q6P988 1/20 0.34
▸ P2RX7 Q99572 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MET P08581 1/20 0.33

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
SCHEMBL30152749 0.86 CBLB (0.43) C1RHSD11B1CBLBNOTUM
SCHEMBL24819869 0.86 CBLB (0.43) C1RHSD11B1CBLBNOTUM
SCHEMBL29190036 0.85 CBLB (0.36) C1RHSD11B1CBLBMET
SCHEMBL24819899 0.77 CBLB (0.39) HSD11B1CBLBP2RX7
SCHEMBL29190151 0.77 S1PR1 (0.34) HSD11B1CBLBL3MBTL1ESR1
SCHEMBL24818731 0.77 NPC1 (0.40) HSD11B1CBLBL3MBTL1ESR1
SCHEMBL30153115 0.76 CBLB (0.40) C1RHSD11B1CBLBP2RX7CYP1A2
SCHEMBL29189897 0.76 CBLB (0.40) C1RHSD11B1CBLBP2RX7CYP1A2
SCHEMBL29190059 0.76 CETP (0.37) HSD11B1CBLB
SCHEMBL24818728 0.74 SCN9A (0.38) CBLB

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-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
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