SCHEMBL14486454

SCHEMBL14486454

O=C(O)C1CCCC2(CN2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ GRM2 Q14416 2/20 0.41
▸ GRM3 Q14832 2/20 0.41
▸ GRM4 Q14833 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GRM8 O00222 1/20 0.41
▸ GRM6 O15303 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ GRM1 Q13255 1/20 0.41
▸ PLCB1 Q9NQ66 1/20 0.41
▸ SLC6A1 P30531 2/20 0.39
▸ SLC6A11 P48066 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLC6A13 Q9NSD5 1/20 0.39
▸ APLNR P35414 1/20 0.35

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
SCHEMBL6122988 0.88 GRM2 (0.48) TSHRCYP1A2GRM2GRM3GRM4
SCHEMBL19815193 0.86 TSHR (0.42) TSHRCYP1A2GRM2GRM3GRM4
SCHEMBL25398945 0.85 TSHR (0.39) TSHRCYP1A2GRM2GRM3GRM4
SCHEMBL19814952 0.85 TSHR (0.41) TSHRCYP1A2GRM2GRM3GRM4
SCHEMBL29585583 0.78 TSHR (0.43) TSHRCYP1A2GRM2GRM3GRM4
SCHEMBL16616341 0.78 TSHR (0.39) TSHRCYP1A2GRM2GRM3GRM4
SCHEMBL9715688 0.77 TSHR (0.43) TSHRCYP1A2GRM2GRM3GRM4
SCHEMBL1665499 0.77 TSHR (0.43) TSHRCYP1A2GRM2GRM3GRM4
SCHEMBL10970110 0.77 TSHR (0.43) TSHRCYP1A2GRM2GRM3GRM4
SCHEMBL9901217 0.74 TSHR (0.46) TSHRCYP1A2GRM2GRM3GRM4

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
WO-2023225664-A1 LACTAM SUBSTITUTED IMIDAZOPYRIDAZINE IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-11-23 — — WO disclosed
EP-2729445-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm S.p.A. (IT) 2014-05-14 — — EP disclosed
WO-2013004290-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2013-01-10 — — WO disclosed
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