SCHEMBL8556854

SCHEMBL8556854

Cc1ncc2c(n1)-c1ccccc1N(C(=O)c1ccc(N)cc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.49
AVPR2 P30518 2/20 0.49
AVPR1A P37288 2/20 0.49
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
MEN1 O00255 2/20 0.42
STAT3 P40763 1/20 0.41
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNN4 O15554 1/20 0.39
KCNA3 P22001 1/20 0.39
MAPT P10636 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
SCHEMBL8561524 0.86 HPGD (0.46) RAB9ASMN1; SMN2NPC1KMT2AHPGD
SCHEMBL8559724 0.78 AVPR2 (0.51) RAB9ASMN1; SMN2NPC1KMT2AHPGD
SCHEMBL6995135 0.78 AVPR2 (0.48) RAB9ASMN1; SMN2NPC1KMT2AHPGD
SCHEMBL8556725 0.78 AVPR2 (0.48) RAB9ASMN1; SMN2NPC1KMT2AHPGD
SCHEMBL8559469 0.78 AVPR2 (0.65) RAB9ASMN1; SMN2NPC1KMT2AHPGD
SCHEMBL8820823 0.77 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL8561104 0.76 AVPR2 (0.53) RAB9ASMN1; SMN2NPC1KMT2AHPGD
SCHEMBL8820724 0.75 AVPR2 (0.52) RAB9ASMN1; SMN2NPC1KMT2AHPGD
SCHEMBL7351134 0.74 AVPR2 (0.59) RAB9ASMN1; SMN2NPC1KMT2AHPGD
SCHEMBL19078674 0.74 RAB9A (0.51) RAB9ASMN1; SMN2NPC1KMT2AHPGD

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-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
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed