SCHEMBL29026388

SCHEMBL29026388

C[C@@H]1C=C(c2ccc3c(c2)n(C)c(=O)n3-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.38
▸ BRD4 O60885 3/20 0.33
▸ CREBBP Q92793 3/20 0.33
▸ PKM P14618 1/20 0.33
▸ GLP1R P43220 1/20 0.33
▸ ADORA3 P0DMS8 2/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ SRD5A2 P31213 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ PTGES O14684 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ BAK1 Q16611 1/20 0.31
▸ RORC P51449 1/20 0.30
▸ S1PR5 Q9H228 1/20 0.30
▸ HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL31397309 0.91 GHSR (0.35) GRM5BRD4CREBBP
SCHEMBL23541226 0.91 GHSR (0.35) GRM5BRD4CREBBP
SCHEMBL23541225 0.91 GHSR (0.35) GRM5BRD4CREBBP
SCHEMBL24819532 0.91 GHSR (0.35) GRM5BRD4CREBBP
SCHEMBL23541206 0.90 GRM5 (0.35) GRM5BRD4CREBBPPKMGLP1R
SCHEMBL30026731 0.90 GRM5 (0.35) GRM5BRD4CREBBPPKMGLP1R
SCHEMBL23541208 0.90 GRM5 (0.35) GRM5BRD4CREBBPPKMGLP1R
SCHEMBL23540601 0.88 BRD4 (0.34) GRM5BRD4CREBBPPKMGLP1R
SCHEMBL23540602 0.88 BRD4 (0.34) GRM5BRD4CREBBPPKMGLP1R
SCHEMBL23541280 0.84 ADORA3 (0.35) GRM5BRD4CREBBPPKMADORA3

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-116194453-A Protein tyrosine phosphatase degrading agent and method of use thereof 卡里科生命科学有限责任公司 2023-05-30 — — CN disclosed
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