SCHEMBL4752995

SCHEMBL4752995

CCCC(Oc1cc(Br)cc2c1OC(C)(C)C2)N1CCN(c2ccccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 3/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 4/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DRD4 P21917 3/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR7 P34969 2/20 0.35
OGA O60502 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
IGF1R P08069 1/20 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
Hydrochloric Acid SCHEMBL4788366 0.79 GAA (0.78) GAAMEN1KMT2AHSD17B10TSHR
Hydrochloric Acid SCHEMBL4907796 0.79 GAA (0.56) GAADRD4HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL4752998 0.78
SCHEMBL4753181 0.69 POLB (0.44) ALDH1A1
SCHEMBL5781658 0.66 KMT2A (0.36) MEN1KMT2ATSHRHTR2AALDH1A1
SCHEMBL18948505 0.65 KDM4E (0.55) MEN1KMT2AHSD17B10KDM4ENPSR1
SCHEMBL18948479 0.64 KDM4E (0.54) MEN1KMT2AHSD17B10TSHRKDM4E
Hydrochloric Acid SCHEMBL4788651 0.64 GAA (0.57) GAAMEN1KMT2ATSHRKDM4E
SCHEMBL2328393 0.62 KMT2A (0.39) KMT2AKDM4EHTR2AALDH1A1
SCHEMBL4750793 0.62 NPC1 (0.36) MEN1KMT2ATSHRHTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed