SCHEMBL28082028

SCHEMBL28082028

CN1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.62
ALDH1A1 P00352 4/20 0.54
MAPT P10636 4/20 0.54
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
RAD52 P43351 1/20 0.54
POLB P06746 3/20 0.52
KMT2A Q03164 1/20 0.52
SIRT6 Q8N6T7 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RHEB Q15382 1/20 0.48
ROCK2 O75116 1/20 0.47

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
SCHEMBL28082018 0.89 MAPT (0.66) HRH4ALDH1A1MAPTPOLBKMT2A
SCHEMBL6019366 0.79 POLB (0.64) HRH4MAPTPOLBKMT2ANPC1
SCHEMBL28081980 0.79 TP53 (0.69) ALDH1A1MAPTPOLBKMT2ANPC1
SCHEMBL28082040 0.79 ALDH1A1 (0.55) ALDH1A1MAPTOPRM1OPRD1RAD52
SCHEMBL29732863 0.78 CSNK2A1 (0.58) ALDH1A1MAPTOPRM1OPRD1RAD52
SCHEMBL28776019 0.78 CSNK2A1 (0.58) ALDH1A1MAPTOPRM1OPRD1RAD52
SCHEMBL23258395 0.78 MEN1 (0.57) HRH4ALDH1A1MAPTPOLBKMT2A
SCHEMBL28082015 0.78 MAOA (0.59) HRH4ALDH1A1MAPTPOLBKMT2A
SCHEMBL6130883 0.77 HRH4 (1.00) HRH4OPRM1
SCHEMBL931628 0.77 NHERF1 (0.52) HRH4POLBKMT2ANPC1RAB9A

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