SCHEMBL9768595

SCHEMBL9768595

O=[C]OCC1CCCNC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
MAP2K1 Q02750 1/20 0.38
KMT2A Q03164 2/20 0.36
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
EPHX1 P07099 1/20 0.36
EED O75530 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
SLC6A1 P30531 2/20 0.34
SLC6A11 P48066 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34

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
SCHEMBL5253418 0.81 KMT2A (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL1246055 0.79
SCHEMBL317020 0.77
SCHEMBL457301 0.77
SCHEMBL5254994 0.76 NAAA (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL5253989 0.75 TDP1 (0.38) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL826778 0.74 CTSL (0.39) KMT2ALMNA
SCHEMBL5544544 0.74 CTSL (0.39) KMT2ALMNA
SCHEMBL5542797 0.74 CTSL (0.39) KMT2ALMNA
SCHEMBL9667251 0.74

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-5010077-A Tranquilizers A/S FERROSAN (DK) 1991-04-23 US claimed