SCHEMBL28082050

SCHEMBL28082050

O=C(Nc1ccc(C2CNCCO2)cc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL28467255 0.77 CYP19A1 (0.43)
SCHEMBL6019366 0.76 POLB (0.64)
SCHEMBL28082018 0.76 MAPT (0.66)
SCHEMBL1663493 0.75 TAAR1 (0.59) TAAR1SLC6A3KCNH2
SCHEMBL1662919 0.75 TAAR1 (0.61) TAAR1SLC6A3KCNH2
SCHEMBL2295355 0.75 DRD2 (0.47)
SCHEMBL2295207 0.75 DRD2 (0.47)
SCHEMBL5118709 0.75 DRD2 (0.47)
SCHEMBL931628 0.74 NHERF1 (0.52)
SCHEMBL28081980 0.74 TP53 (0.69)

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-105820104-B A kind of indoles -2- amides compound with anti-inflammatory effect and its application in preparing anti-inflammatory drugs 温州医科大学 2018-12-11 CN disclosed
CN-105820104-A Indole-2-acetamide compound with anti-inflammatory effect, and application thereof in preparation of anti-inflammatory drugs 温州医科大学 2016-08-03 CN disclosed