SCHEMBL7608951

SCHEMBL7608951

NC(=O)COCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
POLB P06746 3/20 0.55
RECQL P46063 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
SIGMAR1 Q99720 1/20 0.51
CCR3 P51677 1/20 0.51
HTR7 P34969 2/20 0.50
RAB9A P51151 1/20 0.50
TACR1 P25103 1/20 0.50
HTR1A P08908 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
HTR2A P28223 1/20 0.49

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
SCHEMBL7604178 0.88 HRH1 (0.60) ALDH1A1KDM4ETDP1POLBRECQL
Hydrochloric Acid SCHEMBL7951764 0.87 HRH1 (0.60) ALDH1A1KDM4ETDP1POLBRECQL
SCHEMBL7607619 0.83 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1POLBRECQL
SCHEMBL28737370 0.82 KMT2A (0.57) ALDH1A1KDM4ETDP1POLBSMN1; SMN2
SCHEMBL7604181 0.82 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AMEN1SIGMAR1HTR7
SCHEMBL8444141 0.81 KDM4E (0.40) ALDH1A1KDM4ETDP1POLBRECQL
SCHEMBL18657306 0.80 SIGMAR1 (0.60) ALDH1A1KDM4ETDP1POLBRECQL
SCHEMBL28737418 0.80 LMNA (0.56) ALDH1A1KDM4ETDP1KMT2ASIGMAR1
SCHEMBL7630560 0.80 HTR7 (0.48) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL7606236 0.80 MEN1 (0.48) ALDH1A1KDM4ETDP1SMN1; SMN2KMT2A

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 9 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
EP-0927173-A1 SUBSTITUTED [2-(1-PIPERAZINYL)ETHOXY]METHYL UCB, S.A. (BE) 1999-07-07 EP claimed
WO-1997037982-A1 NOVEL SUBSTITUTED [2-(1-PIPERAZINYL)ETHOXY]METHYL UCB S.A. (BE) 1997-10-16 WO claimed
EP-0927173-B1 SUBSTITUTED [2-(1-PIPERAZINYL)ETHOXY]METHYL UCB SA (BE) 2002-06-12 EP disclosed
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
EP-0927173-A1 SUBSTITUTED [2-(1-PIPERAZINYL)ETHOXY]METHYL UCB, S.A. (BE) 1999-07-07 EP disclosed
WO-1997037982-A1 NOVEL SUBSTITUTED [2-(1-PIPERAZINYL)ETHOXY]METHYL UCB S.A. (BE) 1997-10-16 WO disclosed