SCHEMBL10690321

SCHEMBL10690321

CN1CCc2cc(Cl)c(OCCO)cc2C(c2cccc3c2OCC3)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 12/20 0.46
DRD5 P21918 5/20 0.46
CYP2D6 P10635 3/20 0.42
CYP1A2 P05177 2/20 0.42
DRD2 P14416 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 2/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.42
ADRB2 P07550 1/20 0.42
GPR183 P32249 1/20 0.42
APLNR P35414 1/20 0.42
GLP1R P43220 1/20 0.42
CX3CR1 P49238 1/20 0.42

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
SCHEMBL9404228 0.88 DRD1 (0.46) DRD1DRD5CYP2D6CYP1A2DRD2
SCHEMBL8911123 0.87 DRD1 (0.55) DRD1DRD5CYP2D6CYP1A2DRD2
SCHEMBL10875494 0.84 DRD1 (0.46) DRD1DRD5CYP2D6CYP1A2DRD2
Odapipam SCHEMBL2056522 0.83 DRD1 (0.66) DRD1DRD5CYP2D6CYP1A2DRD2
Odapipam SCHEMBL7207803 0.83 DRD1 (0.66) DRD1DRD5CYP2D6CYP1A2DRD2
SCHEMBL9529250 0.82 DRD1 (0.44) DRD1DRD5CYP2D6CYP1A2DRD2
SCHEMBL9529247 0.82 DRD1 (0.42) DRD1DRD5CYP2D6CYP1A2DRD2
SCHEMBL10692933 0.81 DRD1 (0.53) DRD1DRD5CYP2D6CYP1A2DRD2
SCHEMBL9531885 0.81 DRD1 (0.42) DRD1DRD5CYP2D6CYP1A2DRD2
SCHEMBL9529771 0.79 DRD1 (0.42) DRD1DRD5CYP2D6CYP1A2DRD2

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-4751222-A 2,3,4,5-tetrahydro-1H-3-benzazepines and CNS affecting use thereof NOVO INDUSTRI A/S (DK) 1988-06-14 US disclosed
EP-0200455-A2 2,3,4,5-tetrahydro-1H-3-benzazepines substituted in position 5 NOVO NORDISK A/S (DK) 1986-11-05 EP disclosed