SCHEMBL13667202

SCHEMBL13667202

NCC1CCC(CNCCCN2CCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.48
GNAO1 P09471 1/20 0.48
GNAI1 P63096 1/20 0.48
SIGMAR1 Q99720 2/20 0.42
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
SAT1 P21673 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CYP2D6 P10635 1/20 0.39
SCN5A Q14524 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
RAD52 P43351 1/20 0.37

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
SCHEMBL22856216 0.86 SIGMAR1 (0.49) GNAI3GNAO1GNAI1SIGMAR1FPR3
SCHEMBL7949267 0.86 SIGMAR1 (0.49) GNAI3GNAO1GNAI1SIGMAR1FPR3
SCHEMBL2444668 0.82 GNAI3 (0.50) GNAI3GNAO1GNAI1FPR3FPR2
SCHEMBL13661593 0.81 CARM1 (0.45) GNAI3GNAO1GNAI1SIGMAR1FPR3
SCHEMBL13667369 0.79 CYP2D6 (0.55) GNAI3GNAO1GNAI1SIGMAR1SAT1
SCHEMBL9911454 0.79 CARM1 (0.46) GNAI3GNAO1GNAI1SIGMAR1FPR3
SCHEMBL8047476 0.75 CHRM5 (0.48) GNAI3GNAO1GNAI1SIGMAR1FPR3
SCHEMBL8044995 0.75 CHRM5 (0.48) GNAI3GNAO1GNAI1SIGMAR1FPR3
SCHEMBL8031282 0.75 GNAI3 (0.46) GNAI3GNAO1GNAI1SIGMAR1FPR3
SCHEMBL11597194 0.75 SAT1 (0.50) GNAI3GNAO1GNAI1SAT1CYP2D6

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-2009131598-A1 HETEROCYCLIC COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-10-29 WO disclosed