SCHEMBL8563279

SCHEMBL8563279

COc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.48
GPR27 Q9NS67 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AVPR1A P37288 6/20 0.44
POLB P06746 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CPT1A P50416 1/20 0.41
CPT1B Q92523 1/20 0.41

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
SCHEMBL8563394 0.90 NPC1 (0.50) AVPR2MEN1KMT2AAVPR1AALDH1A1
SCHEMBL8557927 0.89 AVPR2 (0.51) AVPR2GPR27AVPR1A
SCHEMBL8557610 0.89 MAPT (0.52) AVPR2KMT2AAVPR1APOLBALDH1A1
SCHEMBL8563496 0.88 AVPR2 (0.56) AVPR2MEN1KMT2AAVPR1A
SCHEMBL8558117 0.86 AVPR2 (0.47) AVPR2MEN1KMT2AAVPR1APOLB
SCHEMBL8563047 0.83 AVPR1A (0.51) KMT2AAVPR1A
SCHEMBL8561396 0.82 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL8560617 0.82 AVPR1A (0.49) AVPR2AVPR1A
SCHEMBL8556903 0.82 AVPR2 (0.53) AVPR2MEN1KMT2AAVPR1APOLB
SCHEMBL8562938 0.82 AVPR2 (0.45) AVPR2AVPR1A

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 1 patent. 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