SCHEMBL20046966

SCHEMBL20046966

CN1CCC2(CC1)COC(=O)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
NEK2 P51955 1/20 0.35
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 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
SCHEMBL1484517 0.80
SCHEMBL21669921 0.79 GRIN2D (0.36) CHRM2LMNACYP2C9GABRPGABRD
SCHEMBL16582698 0.76 LMNA (0.35) LMNACYP2C9GABRPGABRDGABRA1
SCHEMBL13076899 0.74 LMNA (0.34) LMNACYP2C9GABRPGABRDGABRA1
SCHEMBL20354966 0.73 CHRNA7 (0.33) NEK2
SCHEMBL9965123 0.72 LMNA (0.34) LMNACYP2C9GABRPGABRDGABRA1
SCHEMBL21739432 0.72 NEK2 (0.36) CHRM2NEK2LMNA
SCHEMBL15371665 0.72 CHRM2 (0.41) CHRM2CHRM3NEK2
SCHEMBL5254577 0.71 GABRP (0.32) NEK2LMNACYP2C9GABRPGABRD
Hydrochloric Acid SCHEMBL5766880 0.69 GABRP (0.32) NEK2LMNACYP2C9GABRPGABRD

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-2018067615-A1 COMPOUNDS, DEVICES, AND USES THEREOF SIGILON THERAPEUTICS, INC. (US) 2018-04-12 WO disclosed