SCHEMBL904850

SCHEMBL904850

Fc1ccc(C(CCCN2CCC(n3nnc4ccccc43)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 4/20 0.60
HTR2A P28223 3/20 0.60
CYP2D6 P10635 3/20 0.60
RAB9A P51151 2/20 0.60
KDM4E B2RXH2 2/20 0.60
CYP3A4 P08684 2/20 0.60
ALOX15 P16050 2/20 0.60
CYP2C19 P33261 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
SLC22A2 O15244 1/20 0.60
MLNR O43193 1/20 0.60
CACNA1G O43497 1/20 0.60
CACNA1F O60840 1/20 0.60
GMNN O75496 1/20 0.60
USP1 O94782 1/20 0.60
KCNK2 O95069 1/20 0.60
CACNA1H O95180 1/20 0.60

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
SCHEMBL904836 0.86 HTR2A (0.56) USP2MEN1KMT2AALDH1A1HTR2A
SCHEMBL5857440 0.85 CYP2D6 (0.61) USP2MEN1KMT2AALDH1A1HTR2A
SCHEMBL904830 0.81 DRD2 (0.60) USP2MEN1KMT2AALDH1A1HTR2A
SCHEMBL904848 0.81 HTR2A (0.57) USP2MEN1KMT2AALDH1A1HTR2A
SCHEMBL17471517 0.79 CYP2D6 (0.60) USP2MEN1KMT2AALDH1A1HTR2A
SCHEMBL5857451 0.78 CYP2D6 (0.52) USP2ALDH1A1HTR2ACYP2D6CYP3A4
SCHEMBL27589107 0.78 USP2 (0.65) USP2MEN1KMT2AALDH1A1HTR2A
SCHEMBL10281564 0.77 CYP2D6 (0.58) USP2MEN1KMT2AALDH1A1HTR2A
SCHEMBL5729319 0.77 HTR2A (0.53) USP2MEN1KMT2AALDH1A1HTR2A
SCHEMBL904826 0.75 HTR2A (0.58) USP2MEN1KMT2AALDH1A1HTR2A

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