SCHEMBL9646290

SCHEMBL9646290

COc1ccccc1N1CCN(Cn2c(=O)oc3cccnc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 8/20 0.60
▸ HTR7 P34969 7/20 0.60
▸ ALDH1A1 P00352 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ KLF5 Q13887 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ DRD2 P14416 4/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ MPI P34949 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
SCHEMBL9647687 0.91 HTR1A (0.65) HTR1AHTR7DRD2HTR2A
SCHEMBL9647603 0.86 ALDH1A1 (0.50) HTR1AHTR7ALDH1A1LMNAMAPT
SCHEMBL9647522 0.85 TSHR (0.49) HTR1AHTR7ALDH1A1RAB9AKDM4E
SCHEMBL9647579 0.82 KDM4E (0.46) HTR1AALDH1A1KDM4EDRD2HTR2A
SCHEMBL9645860 0.81 HTR1A (0.55) HTR1AHTR7ALDH1A1LMNAMAPT
SCHEMBL9646321 0.81 KDM4E (0.50) HTR1AALDH1A1RAB9AKDM4EKMT2A
SCHEMBL9646680 0.80 NPC1 (0.52) HTR1AALDH1A1MAPTKDM4ETDP1
SCHEMBL9646799 0.78 KDM4E (0.54) HTR1AHTR7ALDH1A1LMNAMAPT
SCHEMBL9589114 0.78 KDM4E (0.54) ALDH1A1KDM4EMAPK1
SCHEMBL9588921 0.77 KDM4E (0.53) ALDH1A1KDM4EMAPK1

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
US-5084456-A Analgesics SCIENCE ET ORGANISATION (FR) 1992-01-28 — — US disclosed
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