SCHEMBL11632571

SCHEMBL11632571

O=C1c2cccc3cccc(c23)C(O)N1CCN1CCC(O)(Cc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PLK1 P53350 1/20 0.37
▸ KCNJ1 P48048 3/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ DRD2 P14416 3/20 0.36
▸ HTR2A P28223 3/20 0.36

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
SCHEMBL11744846 0.88 L3MBTL1 (0.51) L3MBTL1KDM4EMAPTHTTRAD52
SCHEMBL11629569 0.88 L3MBTL1 (0.44) L3MBTL1MEN1KMT2AKDM4EPOLB
SCHEMBL11741206 0.83 L3MBTL1 (0.46) L3MBTL1KDM4EPOLBMAPTHTT
SCHEMBL11636824 0.83 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AKDM4EPOLB
SCHEMBL11631631 0.82 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AKDM4EPOLB
SCHEMBL11809762 0.81 HTR1A (0.54) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL11630716 0.80 RAD52 (0.43) L3MBTL1MEN1KMT2AKDM4EPOLB
SCHEMBL11630749 0.80 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AKDM4EPOLB
SCHEMBL11634610 0.79 L3MBTL1 (0.45) L3MBTL1MEN1KMT2AKDM4EPOLB
SCHEMBL11631967 0.78 L3MBTL1 (0.48) L3MBTL1KDM4EMAPTHTTRAB9A

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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