SCHEMBL6993115

SCHEMBL6993115

Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.45
AVPR1A P37288 1/20 0.45
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
BCHE P06276 1/20 0.41
P2RX4 Q99571 1/20 0.41
STING1 Q86WV6 1/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL1495892 0.88 AVPR2 (0.50) AVPR2AVPR1AHPGDSMN1; SMN2NPC1
SCHEMBL6987369 0.81 AVPR2 (0.47) AVPR2AVPR1ASMN1; SMN2RAB9AKMT2A
Hydrochloric Acid SCHEMBL6990553 0.81 AVPR2 (0.47) AVPR2AVPR1ASMN1; SMN2RAB9AKMT2A
SCHEMBL2704973 0.80 AVPR2 (0.44) AVPR2AVPR1AHPGDSMN1; SMN2NPC1
SCHEMBL6986559 0.79 AVPR1A (0.62) AVPR2AVPR1A
SCHEMBL1821311 0.79 AVPR2 (0.56) AVPR2AVPR1AALDH1A1MAPTMAPK1
SCHEMBL2704977 0.79 PDCD1 (0.46) AVPR2AVPR1AHPGDSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL6993820 0.78 AVPR1A (0.61) AVPR2AVPR1A
SCHEMBL7352575 0.78 ALDH1A1 (0.56) HPGDNPC1RAB9AL3MBTL1ALDH1A1
Conivaptan SCHEMBL4625101 0.78 AVPR2 (0.75) AVPR2AVPR1A

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
EP-0709386-B1 FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1097920-A1 Intermediate for condensed benzazepine derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2001-05-09 EP disclosed
EP-0709386-A1 FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-05-01 EP disclosed