SCHEMBL7319409

SCHEMBL7319409

Cn1cc2c(n1)-c1sccc1N(C(=O)c1ccc(N)cc1)CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.66
AVPR1A P37288 4/20 0.66
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
ESR1 P03372 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ENPP3 O14638 1/20 0.34
ALPL P05186 1/20 0.34
ENPP1 P22413 1/20 0.34

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
SCHEMBL8559724 0.81 AVPR2 (0.51) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD
SCHEMBL5231630 0.80 AVPR2 (0.67) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD
SCHEMBL5236931 0.80 AVPR1A (1.00) AVPR2AVPR1A
SCHEMBL5235682 0.78 AVPR2 (1.00) AVPR2AVPR1ARAB9AALDH1A1
SCHEMBL5236545 0.77 AVPR2 (0.44) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD
SCHEMBL5233013 0.75 AVPR2 (0.64) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD
SCHEMBL5239857 0.73 AVPR1A (0.52) AVPR2AVPR1AHPGDKMT2AALDH1A1
SCHEMBL8820844 0.72 AVPR2 (0.54) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD
SCHEMBL5236488 0.71 AVPR2 (0.49) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD
SCHEMBL19454364 0.70 ALDH1A1 (0.45) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022295-A9 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS 1996-11-14 WO disclosed
WO-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed