SCHEMBL9876649

SCHEMBL9876649

CCCCCNCC1CCC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.65
GNAO1 P09471 2/20 0.65
GNAI1 P63096 2/20 0.65
SAT1 P21673 1/20 0.55
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
EPHX1 P07099 11/20 0.44
NAAA Q02083 1/20 0.42
CYP1A2 P05177 1/20 0.41
EPHX2 P34913 2/20 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
SCHEMBL18780243 0.98 GNAI3 (0.68) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL11922711 0.96 GNAI3 (0.65) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL8515191 0.94 GNAI3 (0.62) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL27382583 0.94 GNAI3 (0.62) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL24062846 0.93 SAT1 (0.57) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL8603624 0.92 GNAI3 (0.66) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL28997937 0.92 GNAI3 (0.66) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL1932361 0.92 GNAI3 (0.56) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL11576183 0.92 GNAI3 (0.66) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL28709614 0.92 GNAI3 (0.66) GNAI3GNAO1GNAI1SAT1ALDH1A1

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-5047432-A Antidepressants THE BOOTS COMPANY PLC (GB) 1991-09-10 US disclosed
US-4925879-A ANTIDEPRESSANTS BOOTS COMPANY, PLC (GB) 1990-05-15 US disclosed