SCHEMBL8564664

SCHEMBL8564664

Cc1sccc1CC(=O)Nc1ccc(C(=O)N2CCc3ccccc3-c3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AVPR2 P30518 4/20 0.46
AVPR1A P37288 5/20 0.45
MEN1 O00255 1/20 0.45
LDHA P00338 1/20 0.44
LDHB P07195 1/20 0.44
AVPR1B P47901 1/20 0.43
OXTR P30559 1/20 0.43

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
SCHEMBL8557382 0.87 AVPR2 (0.50) NAMPTKMT2ANPC1HPGDRAB9A
SCHEMBL8559570 0.84 AVPR1A (0.55) KMT2ANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8563056 0.83 ALDH1A1 (0.48) NAMPTKMT2ANPC1HPGDRAB9A
SCHEMBL8561675 0.83 NAMPT (0.50) NAMPTAVPR1A
SCHEMBL8558667 0.82 NAMPT (0.54) NAMPTNPC1HPGDRAB9AAVPR2
SCHEMBL7332706 0.82 AVPR2 (0.47) NAMPTKMT2AAVPR2AVPR1AMEN1
SCHEMBL9234962 0.80 AVPR1A (0.49) KMT2AAVPR2AVPR1AMEN1
SCHEMBL8564490 0.80 AVPR1A (0.53) KMT2AAVPR2AVPR1AMEN1AVPR1B
SCHEMBL8316010 0.80 AVPR1A (0.40) NAMPTKMT2AAVPR2AVPR1AMEN1
SCHEMBL8561545 0.77 MEN1 (0.74) NAMPTKMT2ANPC1RAB9ASMN1; SMN2

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 2 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
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed