SCHEMBL25709477

SCHEMBL25709477

C=C1OCCN1c1cccc(C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ NOTUM Q6P988 2/20 0.40
▸ RXRA P19793 6/20 0.38
▸ GRIN1 Q05586 6/20 0.38
▸ GRIN2B Q13224 6/20 0.38
▸ GRM2 Q14416 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ PLK1 P53350 1/20 0.34
▸ LPAR5 Q9H1C0 1/20 0.33
▸ ESRRA P11474 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MDM4 O15151 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ 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
SCHEMBL12545834 0.82 DRD2 (0.46) DRD2DRD3KCNH2NOTUMGRM2
SCHEMBL17721655 0.77 MAPT (0.47) DRD2DRD3KCNH2ALDH1A1CYP3A4
SCHEMBL16786522 0.75 DRD2 (0.50) DRD2DRD3KCNH2NOTUMRXRA
SCHEMBL10224168 0.74 DRD2 (0.47) DRD2DRD3KCNH2NOTUMGRM2
SCHEMBL11994562 0.74 PARP1 (0.34) DRD2ALDH1A1TP53CYP3A4MAPT
SCHEMBL19701984 0.71 PIK3CD (0.47) DRD2DRD3KCNH2NOTUMGRM2
SCHEMBL276758 0.71 LMNA (0.53) NOTUMHRH3KDM4EALDH1A1TP53
SCHEMBL16019525 0.71 NOTUM (0.56) DRD2DRD3KCNH2NOTUMHRH3
SCHEMBL10224195 0.71 NOTUM (0.47) DRD2DRD3KCNH2NOTUMGRM2
SCHEMBL22797019 0.70 DRD2 (0.49) DRD2DRD3KCNH2NOTUMGRM2

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-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 — — EP disclosed
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