SCHEMBL8534845

SCHEMBL8534845

CN(CC1CC1)c1c(OCc2cccnc2)oc(=O)c(C2CCCC2)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GPR132 Q9UNW8 1/20 0.34
BRD4 O60885 2/20 0.33
CREBBP Q92793 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
PRKDC P78527 3/20 0.33
P2RY12 Q9H244 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8536081 0.73 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7373615 0.71 GPR132 (0.39) CHRM2CHRM1CHRM3GPR132BRD4
SCHEMBL7457663 0.70 GPR132 (0.40) CHRM2CHRM1CHRM3GPR132BRD4
SCHEMBL8534849 0.70 GPR132 (0.38) CHRM2CHRM1CHRM3GPR132LMNA
SCHEMBL9037973 0.65 LMNA (0.39) CHRM2CHRM1CHRM3GPR132BRD4
SCHEMBL9037970 0.63 P2RY12 (0.36) GPR132BRD4CREBBPPRKDCP2RY12
SCHEMBL9037967 0.61 HCAR2 (0.39) CHRM2CHRM1CHRM3GPR132BRD4
SCHEMBL7371301 0.60 PRKDC (0.38) BRD4CREBBPPRKDCPIK3CD
SCHEMBL7457650 0.60 GPR132 (0.40) GPR132BRD4CREBBP
SCHEMBL14415502 0.60 CHRNB2 (0.41) CHRM2CHRM1CHRM3

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-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed