SCHEMBL10723940

SCHEMBL10723940

O=C(NCCCCN1CCN(CCCNC(=O)C2CCCCC2)CC1)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.65
DRD3 P35462 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.60
ADRA1A P35348 1/20 0.60
NAAA Q02083 1/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
RAD52 P43351 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
FPR3 P25089 1/20 0.51
FPR2 P25090 1/20 0.51

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
SCHEMBL19849351 0.92 SMN1; SMN2 (0.70) DRD2DRD3SMN1; SMN2ADRA1ANAAA
SCHEMBL14761832 0.88 DRD2 (0.57) DRD2DRD3SMN1; SMN2ADRA1ANAAA
SCHEMBL10723369 0.88 SMN1; SMN2 (0.55) DRD2DRD3SMN1; SMN2ADRA1ANAAA
SCHEMBL10721902 0.88 NAAA (0.58) DRD2DRD3SMN1; SMN2ADRA1ANAAA
SCHEMBL13875530 0.87 SMN1; SMN2 (0.72) DRD2DRD3SMN1; SMN2NAAAMEN1
SCHEMBL26844232 0.86 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2A
SCHEMBL14761461 0.86 SMN1; SMN2 (0.56) DRD2DRD3SMN1; SMN2ADRA1ANAAA
SCHEMBL14761718 0.83 DRD3 (0.71) DRD2DRD3SMN1; SMN2ADRA1AMEN1
SCHEMBL7385554 0.83 DRD2 (0.55) DRD2DRD3SMN1; SMN2ADRA1ANAAA
SCHEMBL17172545 0.82 NAAA (0.82) DRD2DRD3SMN1; SMN2NAAAMEN1

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
US-4665410-A THERMOGRAPHY RICOH COMPANY, LTD. (JP) 1987-05-12 US disclosed
US-4663641-A LEUCO DYES; DECOLORIZING AGENTS, PIPERAZINE COMPOUND; AMIDES AND TERTIARY AMINES RICOH COMPANY, LTD. (JP) 1987-05-05 US disclosed