SCHEMBL7918924

SCHEMBL7918924

CC(C)(C)OC(=O)N1CC(CN2CC=C(c3c[nH]c4ccccc34)CC2)Oc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.59
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
ALOX15 P16050 2/20 0.50
SLC6A4 P31645 3/20 0.49
DRD2 P14416 6/20 0.46
HTR2A P28223 4/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.43
HTR6 P50406 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7911453 0.80 HTR1A (0.76) HTR1ASLC6A4DRD2HTR2AHTR6
SCHEMBL31285862 0.76 MAPT (0.60) HTR1AKDM4ELMNAALOX15SLC6A4
SCHEMBL7916133 0.76 MAPT (0.60) HTR1AKDM4ELMNAALOX15SLC6A4
SCHEMBL7121698 0.75 HTR1A (0.71) HTR1AKDM4ELMNAALOX15SLC6A4
SCHEMBL7911460 0.75 HTR1A (1.00) HTR1AKDM4ELMNAALOX15SLC6A4
SCHEMBL7215901 0.73 HTR1D (0.51) HTR1ASLC6A4DRD2HTR2AHTR6
SCHEMBL5845471 0.73 HTR1A (0.63) HTR1AKDM4ELMNAALOX15SLC6A4
SCHEMBL6970489 0.72 MAPT (0.64) HTR1ALMNAHTTPOLB
SCHEMBL6964820 0.72 HTR1A (0.61) HTR1AKDM4ELMNAALOX15DRD2
SCHEMBL5843988 0.71 HTR1A (0.63) HTR1AKDM4ELMNAALOX15SLC6A4

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-6221863-B1 TREATING DEPRESSION IN A PATIENT AMERICAN HOME PRODUCTS CORP. 2001-04-24 US disclosed
WO-2000040581-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed