SCHEMBL9277201

SCHEMBL9277201

CCCCCOC1CCN(CCCCC)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 6/20 0.46
GNAI3 P08754 5/20 0.46
GNAI1 P63096 5/20 0.46
BCHE P06276 1/20 0.41
HTR1A P08908 6/20 0.40
DRD1 P21728 6/20 0.40
DRD4 P21917 6/20 0.40
DRD5 P21918 6/20 0.40
DRD3 P35462 6/20 0.40
DRD2 P14416 5/20 0.40
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL25654272 0.88 HRH3 (0.40) GNAO1GNAI3GNAI1DRD1DRD4
SCHEMBL25654271 0.88 HRH3 (0.40) GNAO1GNAI3GNAI1DRD1DRD4
SCHEMBL24672773 0.88 GNAO1 (0.56) GNAO1GNAI3GNAI1
SCHEMBL27364662 0.86 GNAO1 (0.50) GNAO1GNAI3GNAI1BCHEHTR1A
SCHEMBL22856570 0.86 CHRM2 (0.41) GNAO1GNAI3GNAI1
SCHEMBL7739926 0.85 GUSB (0.48) GNAO1GNAI3GNAI1EBPSIGMAR1
SCHEMBL25469357 0.83 GNAO1 (0.44) GNAO1GNAI3GNAI1BCHE
SCHEMBL23986827 0.82 GNAI3 (0.40) GNAO1GNAI3GNAI1
SCHEMBL17033973 0.82 LIPC (0.38) GNAO1GNAI3GNAI1
SCHEMBL26280657 0.82 LIPC (0.38) GNAO1GNAI3GNAI1

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-1995003421-A1 PROCESS FOR THE ENZYMATIC PREPARATION OF OPTICALLY ACTIVE N-SUBSTITUTED-3-PYRROLIDINOL DSM N.V. (NL) 1995-02-02 WO disclosed