SCHEMBL11081075

SCHEMBL11081075

O=C(N1CCNCC1)C1(c2ccccc2)CCCC1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
HSD11B1 P28845 11/20 0.69
SMN1; SMN2 Q16637 1/20 0.67
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
AKR1C1 Q04828 1/20 0.54
HDAC4 P56524 2/20 0.53
SIGMAR1 Q99720 1/20 0.50
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
GPR55 Q9Y2T6 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
SCHEMBL11085490 0.98 MEN1 (0.77) MEN1KMT2AHSD11B1SMN1; SMN2ALDH1A1
SCHEMBL18390858 0.97 MEN1 (0.69) MEN1KMT2AHSD11B1SMN1; SMN2ALDH1A1
SCHEMBL11088640 0.94 HSD11B1 (0.73) MEN1KMT2AHSD11B1SMN1; SMN2ALDH1A1
SCHEMBL4630666 0.88 HSD11B1 (0.79) MEN1KMT2AHSD11B1SMN1; SMN2ALDH1A1
SCHEMBL6544495 0.88 HSD11B1 (0.73) MEN1KMT2AHSD11B1SMN1; SMN2ALDH1A1
SCHEMBL8231613 0.87 HSD11B1 (0.59) MEN1KMT2AHSD11B1SMN1; SMN2ALDH1A1
SCHEMBL6543280 0.86 HSD11B1 (0.79) MEN1KMT2AHSD11B1SMN1; SMN2ALDH1A1
Water SCHEMBL6544000 0.86 HSD11B1 (0.77) MEN1KMT2AHSD11B1SMN1; SMN2ALDH1A1
Water SCHEMBL6544001 0.86 HSD11B1 (0.77) MEN1KMT2AHSD11B1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6161721 0.86 HSD11B1 (0.77) MEN1KMT2AHSD11B1SMN1; SMN2ALDH1A1

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-2017011776-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2017-01-19 WO disclosed
US-4426382-A HYPOTENSIVE AGENTS SANKYO COMPANY LIMITED (JP) 1984-01-17 US disclosed