SCHEMBL30169409

SCHEMBL30169409

CN1CCN(c2nc3ccccc3c(=O)n2Br)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 5/20 0.54
▸ HTR3E A5X5Y0 2/20 0.54
▸ HTR3B O95264 2/20 0.54
▸ HTR3D Q70Z44 2/20 0.54
▸ HTR3C Q8WXA8 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HRH4 Q9H3N8 2/20 0.50
▸ TSHR P16473 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NCF1 P14598 1/20 0.48

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
SCHEMBL22442334 0.71 KDM4E (0.51) HTR3AKDM4EALDH1A1TSHRNCF1
SCHEMBL18641268 0.70 NPC1 (0.52) KDM4EALDH1A1TSHRHTTHSD17B10
SCHEMBL28064415 0.70 ALDH1A1 (0.76) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8776022 0.70 HSD11B1 (0.62) —
SCHEMBL2750139 0.70 KDM4E (0.68) KDM4EALDH1A1TSHRHTTHSD17B10
SCHEMBL13977641 0.70 KDM4E (0.56) KDM4EALDH1A1TSHRHTTHSD17B10
SCHEMBL30850864 0.70 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL11727573 0.69 HRH4 (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL11728253 0.69 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL13967323 0.69 HRH4 (0.55) HTR3AHTR3EHTR3BHTR3DHTR3C

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
CN-115551593-A Compounds and methods for modulating splicing 雷密克斯医疗公司 2022-12-30 — — CN disclosed
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