SCHEMBL4973164

SCHEMBL4973164

OC1CCCc2ccccc2N1O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
POLB P06746 1/20 0.43
NOTUM Q6P988 1/20 0.41
TSHR P16473 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
MGLL Q99685 1/20 0.40
CHRM2 P08172 3/20 0.40
CHRM4 P08173 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL30843775 0.76 AADAT (0.46) NOTUMMEN1KMT2A
SCHEMBL1673259 0.76 AADAT (0.46) NOTUMMEN1KMT2A
Bromide SCHEMBL30825763 0.75 AADAT (0.44) NOTUMMEN1KMT2A
Bromide SCHEMBL5705627 0.75 AADAT (0.44) NOTUMMEN1KMT2A
SCHEMBL1754235 0.68 SMN1; SMN2 (0.58) SMN1; SMN2SIGMAR1POLBNOTUMTSHR
SCHEMBL23505301 0.68 MTNR1A (0.49) SMN1; SMN2POLBNOTUMTSHRALDH1A1
SCHEMBL9685608 0.68 TSHR (0.41) SMN1; SMN2SIGMAR1POLBTSHRALDH1A1
SCHEMBL9224567 0.67 SIGMAR1 (0.52) SMN1; SMN2SIGMAR1NOTUMTSHRMAPT
SCHEMBL6226824 0.67 SMN1; SMN2 (0.47) SMN1; SMN2SIGMAR1POLBNOTUMTSHR
Methane SCHEMBL10699702 0.67 MTNR1A (0.48) SMN1; SMN2POLBNOTUMTSHRALDH1A1

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
WO-2008134071-A1 MULTIMODAL ABUSE RESISTANT EXTENDED RELEASE FORMULATIONS THERAQUEST BIOSCIENCES, INC. (US) 2008-11-06 WO claimed
WO-2008134071-A1 MULTIMODAL ABUSE RESISTANT EXTENDED RELEASE FORMULATIONS THERAQUEST BIOSCIENCES, INC. (US) 2008-11-06 WO disclosed