SCHEMBL9366238

SCHEMBL9366238

O=C=NC(=O)c1ccccc1OCC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MRGPRX1 Q96LB2 1/20 0.44
RIPK1 Q13546 1/20 0.41
HTR2C P28335 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
PTK2B Q14289 1/20 0.36
SGMS2 Q8NHU3 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL27854331 0.80 FAAH (0.51) FAAHCNR1CNR2MRGPRX1RIPK1
SCHEMBL9731442 0.79 HCRTR1 (0.54) ALDH1A1KMT2AMEN1LMNARAB9A
SCHEMBL933677 0.79 ALDH1A1 (0.57) FAAHCNR1CNR2MRGPRX1RIPK1
SCHEMBL4000543 0.77 ALDH1A1 (0.53) FAAHCNR1CNR2MRGPRX1PARP15
SCHEMBL27983423 0.77 FAAH (0.52) FAAHCNR1CNR2MRGPRX1RIPK1
SCHEMBL11290605 0.77 LMNA (0.49) CNR1CNR2ALDH1A1KMT2AMEN1
SCHEMBL12379231 0.77 SGMS2 (0.55) ALDH1A1KMT2AMEN1SGMS2NPC1
SCHEMBL9731702 0.75 LIG1 (0.58) ALDH1A1KMT2AMEN1NPC1LMNA
SCHEMBL12419023 0.75 LMNA (0.55) FAAHCNR1CNR2ALDH1A1KMT2A
SCHEMBL6996948 0.73 CTSD (0.50) ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422846-B1 Aroyl-ureas WYETH JOHN & BROTHER LTD (GB) 1994-02-16 EP claimed
EP-0422846-A2 Aroyl-ureas JOHN WYETH & BROTHER LIMITED (GB) 1991-04-17 EP claimed
JP-3133986-A None JP disclosed
EP-0422846-B1 Aroyl-ureas WYETH JOHN & BROTHER LTD (GB) 1994-02-16 EP disclosed
US-5106843-A Treatment of migraine, emesis, anxiety, gastrointestinal disorders, psychological disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-21 US disclosed
EP-0323077-B1 HETEROCYCLIC COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 1991-09-11 EP disclosed
JP-H03133986-A AROYL-LUREAS JOHN WYETH & BROS LTD 1991-06-07 JP disclosed
EP-0422846-A2 Aroyl-ureas JOHN WYETH & BROTHER LIMITED (GB) 1991-04-17 EP disclosed
US-4983600-A Antiemetics, antianxiety agents, gastrointestinal disorders JOHN WYETH & BROTHER LIMITED (GB) 1991-01-08 US disclosed
EP-0323077-A1 Heterocyclic compounds JOHN WYETH & BROTHER LIMITED (GB) 1989-07-05 EP disclosed