SCHEMBL904827

SCHEMBL904827

Fc1ccc(C(CCCN2CCC(c3nc4ccccc4s3)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
DRD2 P14416 3/20 0.52
DRD4 P21917 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HTR2A P28223 2/20 0.52
HTR7 P34969 2/20 0.52
DRD3 P35462 2/20 0.52
PKM P14618 1/20 0.52
GRM2 Q14416 1/20 0.51
UBE2M P61081 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A9 P48067 1/20 0.48

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
SCHEMBL6399328 0.83 DRD2 (0.65) LMNASMN1; SMN2MAPTTSHRHTT
SCHEMBL14463703 0.79 DRD2 (0.63) LMNASMN1; SMN2MAPTDRD2DRD4
SCHEMBL7533466 0.79 DRD2 (0.60) LMNASMN1; SMN2MAPTTSHRHTT
SCHEMBL8025525 0.78 DRD2 (0.58) LMNASMN1; SMN2MAPTTSHRHTT
SCHEMBL5024739 0.77 DRD4 (0.57) SMN1; SMN2DRD2DRD4ALDH1A1HTR2A
SCHEMBL904877 0.77 KMT2A (0.56) LMNASMN1; SMN2MAPTTSHRHTT
SCHEMBL904908 0.77 GAA (0.49) LMNASMN1; SMN2MAPTTSHRHTT
SCHEMBL11094512 0.77 DRD2 (0.48) LMNASMN1; SMN2MAPTTSHRHTT
Hydrochloric Acid SCHEMBL10990534 0.76 DRD2 (0.48) LMNASMN1; SMN2MAPTTSHRHTT
SCHEMBL31145168 0.75 DRD2 (0.58) LMNASMN1; SMN2MAPTTSHRHTT

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-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed