SCHEMBL10693644

SCHEMBL10693644

CN1CCc2cc(Cl)c(O)cc2C(c2ccc(O)c3c2OCCC3)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 10/20 0.61
DRD5 P21918 3/20 0.57
DRD2 P14416 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 2/20 0.57
CYP3A4 P08684 1/20 0.57
NFKB1 P19838 1/20 0.57
THPO P40225 1/20 0.57
MEN1 O00255 1/20 0.57
ALOX15 P16050 1/20 0.57
KMT2A Q03164 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
LMNA P02545 1/20 0.56
ADRB2 P07550 1/20 0.56
GPR183 P32249 1/20 0.56
APLNR P35414 1/20 0.56
GLP1R P43220 1/20 0.56
CX3CR1 P49238 1/20 0.56

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
SCHEMBL10690278 0.94 DRD1 (0.61) DRD1DRD5DRD2CYP1A2CYP2D6
SCHEMBL10695137 0.88 DRD1 (0.64) DRD1DRD5DRD2CYP1A2CYP2D6
SCHEMBL10692948 0.83 DRD1 (0.57) DRD1DRD5DRD2CYP1A2CYP2D6
Odapipam SCHEMBL2056522 0.83 DRD1 (0.66) DRD1DRD5DRD2CYP1A2CYP2D6
Odapipam SCHEMBL7207803 0.83 DRD1 (0.66) DRD1DRD5DRD2CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL10693190 0.79 DRD1 (0.48) DRD1DRD5DRD2CYP1A2CYP2D6
Odapipam SCHEMBL1230030 0.79 DRD1 (0.60) DRD1DRD5DRD2CYP1A2CYP2D6
SCHEMBL10690358 0.78 DRD1 (0.65) DRD1DRD5DRD2CYP1A2CYP2D6
SCHEMBL8911525 0.78 DRD1 (0.58) DRD1DRD5DRD2CYP1A2CYP2D6
SCHEMBL10690570 0.78 DRD1 (0.65) DRD1DRD5DRD2CYP1A2CYP2D6

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