SCHEMBL7501537

SCHEMBL7501537

COc1ccccc1C1(O)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.55
CHRM4 P08173 1/20 0.55
OPRD1 P41143 2/20 0.53
OPRK1 P41145 2/20 0.53
OPRM1 P35372 1/20 0.53
OPRL1 P41146 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
KDM1A O60341 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL7506800 0.89 MEN1 (0.52) APPCHRM4OPRD1OPRK1MEN1
SCHEMBL6709536 0.88 SCN5A (0.54) APPCHRM4MEN1KMT2ANPSR1
SCHEMBL8315303 0.88 SCN5A (0.54) APPCHRM4MEN1KMT2ANPSR1
SCHEMBL9528495 0.88 APP (0.66) APPCHRM4OPRD1OPRK1OPRM1
SCHEMBL2880304 0.83 SMN1; SMN2 (0.55) CHRM4OPRD1OPRK1MEN1KMT2A
SCHEMBL6611044 0.82 MEN1 (0.50) APPCHRM4OPRD1OPRK1MEN1
SCHEMBL8315425 0.81 OPRD1 (0.54) APPCHRM4OPRD1OPRK1OPRM1
SCHEMBL7556949 0.81 CHRM4 (0.61) CHRM4OPRD1OPRK1OPRL1MEN1
SCHEMBL31559556 0.81 SMN1; SMN2 (0.50) APPCHRM4OPRD1OPRK1MEN1
SCHEMBL6607821 0.80 NOS2 (0.48) APPOPRD1OPRK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734383-B1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ASTRAZENECA AB (SE) 2002-07-24 EP disclosed
CN-1061977-C Aryl substituted heterocycles ZENECA LTD (GB) 2001-02-14 CN disclosed
US-5965576-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0630887-B1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LTD (GB) 1999-07-28 EP disclosed
US-5705505-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1998-01-06 US disclosed
US-5654299-A TREATING RESPIRATORY SYSTEM DISORDER (I.E. ASTHMA) WITH NEUROKININ 2 RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-08-05 US disclosed
CN-1142822-A Cyclic amide derivatives as neurokinin A antagonists ZENECA LTD (GB) 1997-02-12 CN disclosed
US-5589489-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1996-12-31 US disclosed
EP-0734383-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1996-10-02 EP disclosed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 WO disclosed
CN-1098094-A The heterocycle that aryl replaces ZENECA LTD (GB) 1995-02-01 CN disclosed
EP-0630887-A1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LIMITED (GB) 1994-12-28 EP disclosed