SCHEMBL8718962

SCHEMBL8718962

COC(=O)CC1CCN(c2ccc(-c3ccc(C#N)cc3)c(C=C=O)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.38
KDM1A O60341 9/20 0.38
SLC16A3 O15427 2/20 0.37
SLC16A1 P53985 2/20 0.37
DPP4 P27487 1/20 0.37
ERAP1 Q9NZ08 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL8407515 0.95 KDM1A (0.38) KDM1ADPP4
SCHEMBL8407178 0.90 KDM1A (0.38) KDM1ASLC16A3SLC16A1
SCHEMBL8407654 0.85 HRH2 (0.41) CHRM4KDM1AERAP1SIGMAR1
SCHEMBL8407652 0.82 HRH2 (0.45) CHRM4KDM1A
SCHEMBL8409141 0.81 USP14 (0.46) KDM1A
SCHEMBL8409552 0.81 LGMN (0.52) KDM1A
SCHEMBL8409450 0.80 KDM1A (0.40) KDM1A
SCHEMBL9170067 0.76 SIGMAR1 (0.59) CHRM4SIGMAR1
SCHEMBL8407537 0.76 ALDH1A1 (0.47)
SCHEMBL8409543 0.76 KDM1A (0.41) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed