SCHEMBL30152972

SCHEMBL30152972

CO[C@@H]1CCCN(Cc2cc(C(F)(F)F)c3oc(-c4cccc(-c5ccc(F)cc5-c5nncn5C)c4)nc3c2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.41
▸ CBLB Q13191 11/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ S1PR1 P21453 3/20 0.36
▸ S1PR3 Q99500 2/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ TP53 P04637 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
SCHEMBL24818393 1.00 HRH1 (0.41) HRH1CBLBPDE2AS1PR1S1PR3
SCHEMBL24820117 1.00 HRH1 (0.41) HRH1CBLBPDE2AS1PR1S1PR3
SCHEMBL24820104 1.00 HRH1 (0.41) HRH1CBLBPDE2AS1PR1S1PR3
SCHEMBL24818755 0.96 GRM2 (0.38) HRH1CBLBPDE2AS1PR1S1PR3
SCHEMBL24818829 0.92 CBLB (0.42) CBLBPDE2AS1PR1S1PR3TP53
SCHEMBL24818946 0.91 PDCD1 (0.39) CBLBPDE2AS1PR1S1PR3TP53
SCHEMBL24822059 0.89 PDCD1 (0.43) CBLBS1PR1S1PR3
SCHEMBL24819884 0.89 PDCD1 (0.43) CBLBS1PR1S1PR3
SCHEMBL24818663 0.87 CBLB (0.40) CBLB
SCHEMBL24818677 0.87 CBLB (0.40) CBLBS1PR1S1PR3GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359381-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-05-01 — — EP disclosed
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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