SCHEMBL6161758

SCHEMBL6161758

CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CTSL P07711 2/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
KDM4E B2RXH2 1/20 0.48
BRD4 O60885 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
CREBBP Q92793 1/20 0.48
FPR2 P25090 1/20 0.48
TACR1 P25103 2/20 0.48
PKM P14618 1/20 0.48
CCKAR P32238 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
CALCRL Q16602 1/20 0.47

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
SCHEMBL6164109 1.00 MEN1 (0.57) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6162094 0.89 MEN1 (0.53) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6162087 0.89 MEN1 (0.53) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6161131 0.87 MEN1 (0.57) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6161560 0.87 MEN1 (0.57) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6161139 0.87 MEN1 (0.57) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6164896 0.87 GHSR (0.55) MEN1KMT2AKDM4EBRD4ALDH1A1
SCHEMBL8550546 0.87 GHSR (0.55) MEN1KMT2AKDM4EBRD4ALDH1A1
Hydrochloric Acid SCHEMBL6162612 0.86 GHSR (0.54) MEN1KMT2AKDM4EBRD4ALDH1A1
Hydrochloric Acid SCHEMBL6164291 0.86 GHSR (0.54) MEN1KMT2AKDM4EBRD4ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920423-B1 DISUBSTITUTED MORPHOLINE, OXAZEPINE OR THIAZEPINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE D4 RECEPTOR ANTAGONISTS NEUROSEARCH AS (DK) 2005-01-26 EP claimed
US-6479491-B1 USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, ESPECIALLY PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA NEUROSEARCH A/S (DK) 2002-11-12 US claimed
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
EP-0920423-B1 DISUBSTITUTED MORPHOLINE, OXAZEPINE OR THIAZEPINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE D4 RECEPTOR ANTAGONISTS NEUROSEARCH AS (DK) 2005-01-26 EP disclosed
US-6479491-B1 USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, ESPECIALLY PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA NEUROSEARCH A/S (DK) 2002-11-12 US disclosed
US-6207662-B1 USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA NEUROSEARCH A/S (DK) 2001-03-27 US disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
EP-0920423-A1 DISUBSTITUTED MORPHOLINE, OXAZEPINE OR THIAZEPINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE D4 RECEPTOR ANTAGONISTS NEUROSEARCH A/S (DK) 1999-06-09 EP disclosed
WO-1998007710-A1 DISUBSTITUTED MORPHOLINE, OXAZEPINE OR THIAZEPINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE D4 RECEPTOR ANTAGONISTS NEUROSEARCH A/S (DK) 1998-02-26 WO disclosed