SCHEMBL29960407

SCHEMBL29960407

c1ccc2c(c1)OCC1CCCNCC21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
EED O75530 1/20 0.38
HTR2B P41595 2/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
SSTR4 P31391 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
DRD1 P21728 1/20 0.33
CYP19A1 P11511 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
Hydrochloric Acid SCHEMBL29960656 0.98 DRD2 (0.42) DRD2DRD3EEDHTR2BKDM1A
SCHEMBL10717880 0.91 DRD2 (0.44) DRD2DRD3HTR2BSSTR4LTB4R
SCHEMBL10717883 0.91 DRD2 (0.44) DRD2DRD3HTR2BSSTR4LTB4R
SCHEMBL30849006 0.88 DRD2 (0.43) DRD2DRD3EEDHTR2BKDM1A
SCHEMBL29960480 0.82 DRD2 (0.48) DRD2DRD3HTR2BSSTR4LTB4R
SCHEMBL7846708 0.82 DRD2 (0.48) DRD2DRD3HTR2BSSTR4LTB4R
SCHEMBL7846711 0.82 DRD2 (0.48) DRD2DRD3HTR2BSSTR4LTB4R
SCHEMBL7847793 0.82 DRD2 (0.48) DRD2DRD3HTR2BSSTR4LTB4R
SCHEMBL6245152 0.82 DRD2 (0.48) DRD2DRD3HTR2BSSTR4LTB4R
SCHEMBL8528971 0.81 DRD2 (0.44) DRD2DRD3HTR2BSSTR4LTB4R

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-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed