SCHEMBL9764701

SCHEMBL9764701

Nc1ccc2c(c1)C(c1ccccc1)CNCC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 17/20 0.70
DRD2 P14416 10/20 0.70
TAAR1 Q96RJ0 1/20 0.66
KDM4E B2RXH2 4/20 0.63
DRD5 P21918 4/20 0.63
HPGD P15428 3/20 0.63
MAPT P10636 3/20 0.63
CYP3A4 P08684 2/20 0.63
NFKB1 P19838 2/20 0.63
THPO P40225 2/20 0.63
HIF1A Q16665 2/20 0.63
HSD17B10 Q99714 2/20 0.63
ADCY6 O43306 1/20 0.63
ADCY3 O60266 1/20 0.63
ADCY9 O60503 1/20 0.63
ADCY5 O95622 1/20 0.63
ADCY8 P40145 1/20 0.63
ADCY7 P51828 1/20 0.63
ADCY2 Q08462 1/20 0.63
ADCY1 Q08828 1/20 0.63

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
SCHEMBL9724467 0.82 DRD1 (1.00) DRD1DRD2TAAR1KDM4EDRD5
Bromide SCHEMBL11708014 0.81 DRD1 (0.97) DRD1DRD2TAAR1KDM4EDRD5
SCHEMBL2566292 0.81 TAAR1 (0.97) DRD1DRD2TAAR1KDM4EDRD5
SCHEMBL11168975 0.79 DRD1 (0.80) DRD1DRD2TAAR1KDM4EDRD5
SCHEMBL7629630 0.79 HTR2C (0.66) DRD1DRD2TAAR1KDM4EDRD5
SCHEMBL10746431 0.79 DRD1 (0.80) DRD1DRD2TAAR1KDM4EDRD5
Hydrochloric Acid SCHEMBL10345386 0.78 DRD1 (0.66) DRD1DRD2TAAR1KDM4EDRD5
Hydrochloric Acid SCHEMBL11160151 0.78 DRD1 (0.80) DRD1DRD2TAAR1KDM4EDRD5
Hydrochloric Acid SCHEMBL11155219 0.78 DRD1 (0.80) DRD1DRD2TAAR1KDM4EDRD5
Hydrochloric Acid SCHEMBL8518754 0.78 DRD1 (0.80) DRD1DRD2TAAR1KDM4EDRD5

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4996202-A 1,2,4,5 tetrahydro benzazepine-3 compounds and antipsychotic use thereof SCHERING CORPORATION (US) 1991-02-26 US disclosed
US-4996202-A 1,2,4,5 tetrahydro benzazepine-3 compounds and antipsychotic use thereof SCHERING CORPORATION (US) 1991-02-26 US disclosed
EP-0153400-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF SUCH COMPOUNDS AND COMPOSITIONS SCHERING CORPORATION (US) 1985-09-04 EP disclosed
EP-0153400-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF SUCH COMPOUNDS AND COMPOSITIONS SCHERING CORPORATION (US) 1985-09-04 EP disclosed
EP-0135767-A1 Benzazepine derivatives, pharmaceutical compositions containing them and processes for the preparation of such compounds and compositions SCHERING CORPORATION (US) 1985-04-03 EP disclosed
EP-0135767-A1 Benzazepine derivatives, pharmaceutical compositions containing them and processes for the preparation of such compounds and compositions SCHERING CORPORATION (US) 1985-04-03 EP disclosed
WO-1985000808-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF SUCH COMPOUNDS AND COMPOSITIONS SCHERING CORP. (US) 1985-02-28 WO disclosed
WO-1985000808-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF SUCH COMPOUNDS AND COMPOSITIONS SCHERING CORP. (US) 1985-02-28 WO disclosed