SCHEMBL8556725

SCHEMBL8556725

Cc1nc2c(s1)CCN(C(=O)c1ccc(N)cc1)c1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.48
AVPR1A P37288 3/20 0.48
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 3/20 0.40
KCNN4 O15554 1/20 0.40
KCNA3 P22001 1/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
P2RX4 Q99571 1/20 0.36
OXTR P30559 1/20 0.36

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
SCHEMBL1495958 0.91 ALDH1A1 (0.50) AVPR2AVPR1ARAB9ASMN1; SMN2KMT2A
SCHEMBL2705200 0.84 AVPR2 (0.43) AVPR2AVPR1ARAB9ASMN1; SMN2KMT2A
SCHEMBL2129587 0.83 PDCD1 (0.47) AVPR2AVPR1ARAB9ASMN1; SMN2KMT2A
SCHEMBL2129812 0.81 SLC22A12 (0.46) AVPR2AVPR1ARAB9ASMN1; SMN2KMT2A
SCHEMBL6991859 0.80 AVPR1A (0.72) AVPR2AVPR1AOXTR
SCHEMBL6995135 0.80 AVPR2 (0.48) AVPR2AVPR1ARAB9ASMN1; SMN2KMT2A
SCHEMBL8556854 0.78 RAB9A (0.49) AVPR2AVPR1ARAB9ASMN1; SMN2KMT2A
SCHEMBL2616315 0.77 ADORA1 (0.36) RAB9ASMN1; SMN2KMT2AHPGDNPC1
SCHEMBL6994936 0.76 AVPR2 (0.62) AVPR2AVPR1AOXTR
SCHEMBL7351134 0.76 AVPR2 (0.59) AVPR2AVPR1ARAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
WO-1997047625-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 WO disclosed
WO-1997047624-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 WO disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed