SCHEMBL10693049

SCHEMBL10693049

COc1cc2c(cc1Cl)CCNCC2c1ccc2c(c1)CCC2

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.60
HTR2A P28223 8/20 0.60
HTR2B P41595 8/20 0.60
DRD1 P21728 6/20 0.51
DRD5 P21918 4/20 0.51
DRD2 P14416 2/20 0.47
ADCY5 O95622 1/20 0.44

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 SCHEMBL10691613 0.99 HTR2A (0.59) HTR2CHTR2AHTR2BDRD1DRD5
SCHEMBL10691620 0.98 HTR2C (0.60) HTR2CHTR2AHTR2BDRD1DRD5
SCHEMBL8769399 0.84 HTR2A (0.63) HTR2CHTR2AHTR2BDRD1DRD5
SCHEMBL11103721 0.83 DRD1 (0.70) HTR2CHTR2AHTR2BDRD1DRD5
SCHEMBL11103719 0.83 DRD1 (0.70) HTR2CHTR2AHTR2BDRD1DRD5
SCHEMBL11103715 0.83 DRD1 (0.70) HTR2CHTR2AHTR2BDRD1DRD5
SCHEMBL10692914 0.83 HTR2A (0.59) HTR2CHTR2AHTR2BDRD1DRD5
Hydrochloric Acid SCHEMBL10692816 0.82 HTR2A (0.58) HTR2CHTR2AHTR2BDRD1DRD5
Bromide SCHEMBL10689985 0.81 DRD1 (0.70) DRD1DRD5DRD2ADCY5
SCHEMBL7441873 0.81 DRD1 (0.44) HTR2CHTR2AHTR2BDRD1DRD5

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