SCHEMBL9011379

SCHEMBL9011379

CCOC(=O)CCc1c(N)[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.54
MAPT P10636 5/20 0.52
EGFR P00533 4/20 0.52
SRC P12931 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 5/20 0.50
LMNA P02545 4/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
HTR1D P28221 1/20 0.49

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
SCHEMBL20037062 0.86 ALDH1A1 (0.59) HTR6MAPTEGFRSRCSMN1; SMN2
SCHEMBL27478799 0.86 EGFR (0.69) HTR6EGFRSRCSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL27640062 0.85 EGFR (0.67) HTR6EGFRSRCSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL9331582 0.83 TACR1 (0.46) HTR6EGFRSRCKDM4ELMNA
SCHEMBL6701627 0.83 KDM4E (0.68) HTR6KDM4EALDH1A1HSD17B10HTR1A
SCHEMBL2204353 0.83 HTR6 (0.74) HTR6MAPTEGFRSRCKDM4E
SCHEMBL28713546 0.80 KDM4E (0.68) MAPTEGFRSRCKDM4EALDH1A1
SCHEMBL2232715 0.80 KDM4E (0.68) MAPTEGFRSRCKDM4EALDH1A1
SCHEMBL22045333 0.79 CYP4F2 (0.65) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6125560 0.79 KDM4E (0.66) MAPTEGFRSRCKDM4EALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110191885-B Alkoxy bis-heteroaryl derivatives as modulators of protein aggregation UCB生物制药私人有限公司 2023-05-16 CN disclosed
CN-110191885-A ALKOXY BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB生物制药私人有限公司 2019-08-30 CN disclosed
US-5525727-A ANALGESIC OR NARCOTIC ANTAGONIST UNIVERSITY OF FLORIDA (US) 1996-06-11 US disclosed
US-5187158-A Sustained delivery of viricides UNIVERSITY OF FLORIDA (US) 1993-02-16 US disclosed
US-5008257-A Penicillin or cephalosporin antibiotics UNIVERSITY OF FLORIDA (US) 1991-04-16 US disclosed
US-4900837-A Brain-specific drug delivery of steroid sex hormones cleaved from pyridinium carboxylates and dihydro-pyridine carboxylate precursors UNIVERSITY OF FLORIDA (US) 1990-02-13 US disclosed
US-4880921-A Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1989-11-14 US disclosed
US-4824850-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1989-04-25 US disclosed