SCHEMBL25944873

SCHEMBL25944873

O=C(NCC1(C(F)(F)F)CC1)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HTR2C P28335 1/20 0.38
PREP P48147 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL30553348 0.79 P2RX7 (0.30)
Hydrochloric Acid SCHEMBL25326885 0.78
SCHEMBL15421898 0.75 GNAI3 (0.49) GNAI3GNAO1GNAI1EPHX2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL22722874 0.75 GNAI3 (0.41) GNAI3GNAO1GNAI1EPHX2SMN1; SMN2
Hydrochloric Acid SCHEMBL28439551 0.73 GNAI3 (0.51) GNAI3GNAO1GNAI1EPHX2SMN1; SMN2
SCHEMBL21608592 0.73 GNAI3 (0.48) GNAI3GNAO1GNAI1EPHX2SMN1; SMN2
SCHEMBL30298825 0.73 GNAI3 (0.44) GNAI3GNAO1GNAI1SMN1; SMN2ALDH1A1
SCHEMBL25944777 0.72 GNAI3 (0.39) GNAI3GNAO1GNAI1EPHX2GABRA1
SCHEMBL25145686 0.71 DPP7 (0.39) GNAI3GNAO1GNAI1
SCHEMBL5783422 0.71 GNAI3 (0.42) GNAI3GNAO1GNAI1EPHX2SMN1; SMN2

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-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 WO disclosed