SCHEMBL4750439

SCHEMBL4750439

CCC(Oc1cc(Br)cc2c1OC(C)(C)C2)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 3/20 0.33
KDM4E B2RXH2 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MAPT P10636 2/20 0.32
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
DRD3 P35462 2/20 0.31
CHIA Q9BZP6 1/20 0.31

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
SCHEMBL4812505 0.81 LMNA (0.41) SMN1; SMN2ALDH1A1LMNA
SCHEMBL4753181 0.79 POLB (0.44) ALDH1A1
SCHEMBL4750865 0.79 HTR1A (0.48) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL4750799 0.75 POLB (0.42) ALDH1A1
SCHEMBL4750480 0.75 ALDH1A1 (0.39) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL4752995 0.74 GAA (0.51) ALDH1A1MEN1KMT2AGAAKDM4E
Hydrochloric Acid SCHEMBL4752998 0.72
SCHEMBL4750479 0.70 MAPT (0.56) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL4752471 0.69 OPRM1 (0.42) DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL4789354 0.69 HTR1A (0.39) ALDH1A1LMNAMEN1KMT2AKDM4E

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