SCHEMBL19995225

SCHEMBL19995225

COc1ccc(C2CCNCC2OC(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.54
FPR1 P21462 2/20 0.49
MAOA P21397 3/20 0.44
KDM1A O60341 3/20 0.44
MAOB P27338 2/20 0.44
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL8486986 0.85 REN (0.52) RENFPR1MAOAKDM1AMAOB
SCHEMBL14432358 0.85 REN (0.52) RENFPR1MAOAKDM1AMAOB
SCHEMBL28103960 0.85 REN (0.52) RENFPR1MAOAKDM1AMAOB
SCHEMBL19994133 0.79 FPR1 (0.51) FPR1
Hydrochloric Acid SCHEMBL8640129 0.78 MAPT (0.51) RENFPR1MAOAKDM1AMAOB
SCHEMBL14256183 0.77 REN (0.53) RENFPR1ALDH1A1SMN1; SMN2
SCHEMBL14256225 0.77 REN (0.45) RENFPR1
SCHEMBL17474540 0.77 FPR1 (0.52) RENFPR1MAOAKDM1AMAOB
SCHEMBL8448724 0.76 REN (0.56) RENFPR1MAOAKDM1AMAOB
SCHEMBL16874609 0.76 REN (0.52) RENFPR1MAOAKDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515902-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-07-31 EP disclosed
WO-2018054549-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-29 WO disclosed