SCHEMBL11636824

SCHEMBL11636824

O=C1c2cccc3cccc(c23)C(O)N1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HTR1A P08908 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ DRD2 P14416 3/20 0.43
▸ HTR2A P28223 3/20 0.43
▸ HTR6 P50406 3/20 0.43
▸ HTR7 P34969 2/20 0.43

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
SCHEMBL11631804 0.87 L3MBTL1 (0.59) L3MBTL1HTR1AKDM4ELMNAMAPK1
SCHEMBL11630691 0.86 KDM4E (0.61) L3MBTL1HTR1AKDM4ELMNAMAPK1
SCHEMBL11629224 0.86 DRD2 (0.56) L3MBTL1HTR1AKDM4ELMNAMAPK1
SCHEMBL11631631 0.86 L3MBTL1 (0.46) L3MBTL1HTR1AKDM4ELMNAPOLB
SCHEMBL11629079 0.84 L3MBTL1 (0.51) L3MBTL1HTR1AKDM4ELMNAMAPK1
SCHEMBL11629569 0.84 L3MBTL1 (0.44) L3MBTL1HTR1AKDM4ELMNAPOLB
SCHEMBL11631256 0.83 HTR1A (0.62) L3MBTL1HTR1AKDM4ELMNAPOLB
SCHEMBL11632571 0.83 L3MBTL1 (0.43) L3MBTL1HTR1AKDM4ELMNAPOLB
SCHEMBL11632645 0.82 L3MBTL1 (0.50) L3MBTL1HTR1AKDM4ELMNAMAPK1
SCHEMBL11633559 0.81 HTR1A (0.42) L3MBTL1HTR1AKDM4EPOLBKMT2A

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
US-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 — — US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 — — US disclosed
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