SCHEMBL8704173

SCHEMBL8704173

COCCCCNCCNCCNC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 7/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.41
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8705304 0.94 TSHR (0.47) KDM4EKMT2AGAALMNAMEN1
SCHEMBL7670790 0.89 KDM4E (0.43) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL4421305 0.88 TSHR (0.55) KDM4EKMT2AGAALMNAMEN1
SCHEMBL7668840 0.87 ALDH1A1 (0.46) KDM4EKMT2AGAALMNAMEN1
SCHEMBL18992793 0.86 KDM4E (0.47) KDM4EKMT2AGAALMNAMEN1
SCHEMBL16176008 0.86 ALDH1A1 (0.54) KDM4EKMT2AGAALMNAMEN1
SCHEMBL15663598 0.86 ALDH1A1 (0.42) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL2247156 0.81
SCHEMBL30304031 0.81 ALDH1A1 (0.59) KDM4EKMT2AGAALMNAMEN1
SCHEMBL29358384 0.81 ALDH1A1 (0.53) KDM4EKMT2AGAALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846942-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1998-12-08 US disclosed
US-5631281-A COMPOUNDS FOR TREATMENT OF ANXIETY WITH INDOLE AMIDES WARNER-LAMBERT COMPANY (US) 1997-05-20 US disclosed
US-5622983-A ANTIOBESITY AGENTS, ANTIPSYCHOTIC AGENTS, ANTIULCER AGENTS WARNER-LAMBERT COMPANY (US) 1997-04-22 US disclosed
US-5593967-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
US-5580896-A Treatment of pain and colorectal cancer with dipeptoids of α-substituted Trp-Phe derivatives WARNER-LAMBERT COMPANY (US) 1996-12-03 US disclosed
US-5451602-A Cholecystokinin antagonists useful in the treatment of panic attcks WARNER-LAMBERT COMPANY (US) 1995-09-19 US disclosed
EP-0547178-A4 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER LAMBERT CO (US) 1994-07-06 EP disclosed
US-5318981-A Unnatural dipeptoids of alpha-substituted tyrosine-phenylalanine derivatives WARNER-LAMBERT COMPANY (US) 1994-06-07 US disclosed
EP-0594692-A1 CHOLECYSTOKININ ANTAGONISTS USEFUL IN THE TREATMENT OF PANIC ATTACKS WARNER-LAMBERT COMPANY (US) 1994-05-04 EP disclosed
US-5278316-A Indoles WARNER-LAMBERT COMPANY (US) 1994-01-11 US disclosed
EP-0547178-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1993-06-23 EP disclosed
WO-1993000897-A1 CHOLECYSTOKININ ANTAGONISTS USEFUL IN THE TREATMENT OF PANIC ATTACKS WARNER-LAMBERT COMPANY (US) 1993-01-21 WO disclosed
WO-1992004045-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed