SCHEMBL28469741

SCHEMBL28469741

O=C(c1cc2ccccc2[nH]1)N1CC[CH]CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.74
HRH3 Q9Y5N1 1/20 0.74
POLB P06746 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
AKR1C3 P42330 7/20 0.62
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
DRD2 P14416 1/20 0.57
DRD3 P35462 1/20 0.57
RBP4 P02753 1/20 0.56
FLT3 P36888 1/20 0.56
HRH1 P35367 1/20 0.55

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
SCHEMBL2350768 0.88 HRH4 (0.78) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL29944207 0.86 HRH4 (0.76) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL2345954 0.86 HRH4 (0.76) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL1553345 0.85 HRH4 (0.72) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL29699763 0.85 HRH4 (1.00) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL2679610 0.85 HRH4 (1.00) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL3253717 0.84 POLB (1.00) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL22615176 0.84 HRH4 (0.74) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL9410801 0.84 HRH4 (0.74) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL604932 0.84 HRH4 (1.00) HRH4HRH3POLBSMN1; SMN2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112370452-A Heterocyclic amides as kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 CN disclosed
CN-107624111-B Heterocyclic amides as kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2020-11-03 CN disclosed