SCHEMBL6994753

SCHEMBL6994753

Cc1nc2c(n1C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.45
AVPR1A P37288 1/20 0.45
BCHE P06276 1/20 0.43
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
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
P2RX4 Q99571 1/20 0.41
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
SCHEMBL6995135 0.85 AVPR2 (0.48) AVPR2AVPR1AHPGDSMN1; SMN2NPC1
SCHEMBL8561524 0.80 HPGD (0.46) AVPR2AVPR1AHPGDSMN1; SMN2NPC1
SCHEMBL8558397 0.80 SMN1; SMN2 (0.47) AVPR2AVPR1AHPGDSMN1; SMN2NPC1
SCHEMBL7352575 0.78 ALDH1A1 (0.56) BCHEHPGDNPC1RAB9AALDH1A1
SCHEMBL6993115 0.78 AVPR2 (0.45) AVPR2AVPR1ABCHEHPGDSMN1; SMN2
SCHEMBL21160915 0.78 HPGD (0.49) BCHEHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL8562104 0.77 HPGD (0.58) HPGDSMN1; SMN2NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL6993733 0.76 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL7349991 0.75 L3MBTL1 (0.46) BCHEHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL6990464 0.74 ALDH1A1 (0.52) BCHEHPGDSMN1; SMN2KMT2AALDH1A1

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