SCHEMBL8701100

SCHEMBL8701100

CCc1cc(NC(=O)N2CCN(c3ccccc3OC)CC2N2CCNCC2)c(OC)nc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.38
TACR3 P29371 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ADRB1 P08588 1/20 0.38
DRD2 P14416 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD3 P35462 1/20 0.38
HTR3A P46098 1/20 0.38
HTR6 P50406 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL8701411 0.86 TACR3 (0.47) MAPTMEN1KMT2AALDH1A1ALOX15
SCHEMBL9016350 0.82 SMN1; SMN2 (0.41) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL8705983 0.81 MAPT (0.57) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL8699355 0.77 CHRM4 (0.45) MAPTMEN1KMT2AALDH1A1CYP2C19
SCHEMBL6652670 0.76 PHGDH (0.58) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL8701406 0.76 KMT2A (0.64) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL8704504 0.75 MAPT (0.54) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL6963593 0.75 MAPT (0.54) MAPTKMT2AALDH1A1HSD17B10GAA
SCHEMBL8704176 0.75 MAPT (0.55) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL8699278 0.74 KMT2A (0.42) MAPTMEN1KMT2AALDH1A1CASP1

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
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed