SCHEMBL7604181

SCHEMBL7604181

NC(=O)COCCN1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TEAD3 Q99594 1/20 0.51
GAA P10253 1/20 0.50
ENPP2 Q13822 1/20 0.48
SIGMAR1 Q99720 3/20 0.48
HTR2A P28223 2/20 0.48
OPRM1 P35372 2/20 0.48
HRH1 P35367 2/20 0.48
TMEM97 Q5BJF2 2/20 0.48
HTR1A P08908 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
SCHEMBL20305526 0.90 MEN1 (0.54) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL23100703 0.86 SIGMAR1 (0.54) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL31421436 0.86 MEN1 (0.53) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL24309197 0.85 MEN1 (0.52) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL23728563 0.85 MEN1 (0.52) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL20305738 0.85 MEN1 (0.54) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL21527984 0.84 MEN1 (0.53) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL21528055 0.83 MEN1 (0.51) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL7606236 0.83 MEN1 (0.48) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL21437520 0.83 MEN1 (0.52) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927173-B1 SUBSTITUTED [2-(1-PIPERAZINYL)ETHOXY]METHYL UCB SA (BE) 2002-06-12 EP claimed
US-6140501-A CHEMICAL INTERMEDIATES UCB, S.A. (BE) 2000-10-31 US claimed
US-6255487-B1 PREPARING 2-(2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPER-AZINYL)ETHOXY)ACETIC ACID VIA REACTING SUBSTITUTED (2-((1-PIPERAZINYL)ETHOXY)METHYL COMPOUND WITH A DIPHENYLMETHYL HALIDE, THEN HYDROLYZING IN ALCOHOLIC MEDIUM WITH ACID/BASE UCB, S.A. (BE) 2001-07-03 US disclosed
US-6140501-A CHEMICAL INTERMEDIATES UCB, S.A. (BE) 2000-10-31 US disclosed