SCHEMBL8561104

SCHEMBL8561104

Nc1ccc(C(=O)N2CCc3cnoc3-c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.53
AVPR1A P37288 1/20 0.53
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 8/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
STAT3 P40763 1/20 0.44
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
NAMPT P43490 1/20 0.41
P2RX4 Q99571 1/20 0.40

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
SCHEMBL8561256 0.84 HPGD (0.48) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL8559469 0.81 AVPR2 (0.65) AVPR2AVPR1AHPGDALDH1A1RAB9A
SCHEMBL5236545 0.81 AVPR2 (0.44) AVPR2AVPR1AHPGDALDH1A1RAB9A
SCHEMBL8820724 0.78 AVPR2 (0.52) AVPR2AVPR1AHPGDALDH1A1RAB9A
SCHEMBL7351134 0.77 AVPR2 (0.59) AVPR2AVPR1AHPGDALDH1A1RAB9A
SCHEMBL8556854 0.76 RAB9A (0.49) AVPR2AVPR1AHPGDALDH1A1RAB9A
SCHEMBL8820844 0.75 AVPR2 (0.54) AVPR2AVPR1AHPGDALDH1A1RAB9A
SCHEMBL8559724 0.75 AVPR2 (0.51) AVPR2AVPR1AHPGDALDH1A1RAB9A
SCHEMBL6991836 0.74 AVPR2 (0.65) AVPR2AVPR1AHPGDALDH1A1KMT2A
SCHEMBL20619798 0.73 RAB9A (0.47) AVPR2AVPR1AHPGDALDH1A1RAB9A

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-1997047624-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 WO 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