SCHEMBL24593192

SCHEMBL24593192

CC(C)CCCNCc1cccc2c1C=CCC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 11/20 0.33
▸ CA12 O43570 4/20 0.32
▸ CA2 P00918 4/20 0.32
▸ CA9 Q16790 4/20 0.32
▸ TSHR P16473 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GRIN1 Q05586 4/20 0.31
▸ GRIN2A Q12879 4/20 0.31
▸ BCHE P06276 4/20 0.31
▸ ACHE P22303 4/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL13488450 0.76 IFNAR1 (0.33) —
SCHEMBL14217532 0.74 PKM (0.44) CHRM2KDM4EBCHE
SCHEMBL18617143 0.71 — —
SCHEMBL26411467 0.70 HTR2A (0.41) CHRM2TSHRGRIN1GRIN2ABCHE
SCHEMBL9813612 0.69 CYP1A2 (0.37) TSHRCYP2D6
SCHEMBL28306582 0.68 DAO (0.33) —
SCHEMBL21800096 0.67 CHRM2 (0.45) CHRM2CA12CA2CA9TSHR
SCHEMBL14402640 0.67 — —
SCHEMBL23615876 0.65 TAAR1 (0.38) CYP3A4CYP2D6
SCHEMBL28259970 0.65 MPO (0.37) —

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
EP-4023624-A1 HETERODIMERS OF GLUTAMIC ACID Molecular Insight Pharmaceuticals, Inc. (US) 2022-07-06 — — EP disclosed
Send feedback