SCHEMBL8317691

SCHEMBL8317691

CCOC(=O)c1ccc(NC(=O)c2cc(F)ccc2C)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.50
AVPR1A P37288 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 3/20 0.49
CYP1A2 P05177 1/20 0.49
KMT2A Q03164 3/20 0.48
OXTR P30559 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CASP3 P42574 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL8318235 0.92 LMNA (0.51) LMNAKDM4ERAB9ACYP1A2KMT2A
SCHEMBL8317775 0.85 LMNA (0.47) LMNAKDM4ERAB9ACYP1A2KMT2A
SCHEMBL7334998 0.85 ALDH1A1 (0.65) LMNAKDM4ERAB9ACYP1A2KMT2A
SCHEMBL7340569 0.84 PYGL (0.61) AVPR2AVPR1AKDM4ERAB9AKMT2A
SCHEMBL8319329 0.82 RAB9A (0.53) LMNAKDM4ERAB9ACYP1A2KMT2A
SCHEMBL7336402 0.82 MEN1 (0.68) RAB9AKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL8319324 0.81 RAB9A (0.64) LMNAKDM4ERAB9ACYP1A2KMT2A
SCHEMBL8315129 0.81 WDR5 (0.52) LMNAKDM4ERAB9ACYP1A2KMT2A
SCHEMBL8316866 0.81 RAB9A (0.56) LMNAKDM4ERAB9ACYP1A2KMT2A
SCHEMBL8316571 0.80 HDAC1 (0.57) LMNAKDM4ERAB9ACYP1A2KMT2A

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-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed
CN-1205335-A Tricyclic diazepine vasopression antagonists AMERICAN CYANAMID CO (US) 1999-01-20 CN disclosed
CN-1106812-A Tricyclic diaza * vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID CO (US) 1995-08-16 CN disclosed