SCHEMBL11629569

SCHEMBL11629569

O=C1c2cccc3cccc(c23)C(O)N1CCN1CCC(O)(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ RAD52 P43351 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ CCR1 P32246 1/20 0.39
▸ PLK1 P53350 1/20 0.38
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTR1A P08908 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ HTR2A P28223 2/20 0.35

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
SCHEMBL11634992 0.88 L3MBTL1 (0.53) L3MBTL1RAD52MEN1KMT2AKDM4E
SCHEMBL11632571 0.88 L3MBTL1 (0.43) L3MBTL1RAD52MEN1KMT2AKDM4E
SCHEMBL11634977 0.87 L3MBTL1 (0.47) L3MBTL1KDM4EMAPTRAB9ACCR1
SCHEMBL11636824 0.84 L3MBTL1 (0.49) L3MBTL1RAD52MEN1KMT2AKDM4E
SCHEMBL11631631 0.83 L3MBTL1 (0.46) L3MBTL1RAD52MEN1KMT2AKDM4E
SCHEMBL11633475 0.83 L3MBTL1 (0.45) L3MBTL1KDM4EMAPTRAB9ACCR1
SCHEMBL11629536 0.82 SIGMAR1 (0.46) L3MBTL1MEN1KMT2ACCR1DRD2
SCHEMBL11630996 0.81 SIGMAR1 (0.46) L3MBTL1MEN1KMT2ACCR1HTR1A
SCHEMBL11629977 0.81 SIGMAR1 (0.46) L3MBTL1MEN1KMT2ACCR1HTR1A
SCHEMBL11804698 0.80 HTR1A (0.56) RAD52MEN1KMT2AKDM4EPOLB

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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