SCHEMBL7607619

SCHEMBL7607619

COC(=O)COCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 4/20 0.57
TDP1 Q9NUW8 1/20 0.57
POLB P06746 3/20 0.53
FAAH O00519 1/20 0.53
ACHE P22303 1/20 0.53
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
USP2 O75604 1/20 0.52
HTR7 P34969 2/20 0.51
HTR1A P08908 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 1/20 0.51
SLC29A1 Q99808 1/20 0.51
HTR2A P28223 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MC4R P32245 1/20 0.50

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
SCHEMBL13073679 0.88 CACNA1G (0.53) ALDH1A1KDM4ETDP1POLBFAAH
SCHEMBL7604178 0.86 HRH1 (0.60) ALDH1A1KDM4ETDP1POLBRECQL
Hydrochloric Acid SCHEMBL7951764 0.85 HRH1 (0.60) ALDH1A1KDM4ETDP1POLBRECQL
SCHEMBL7608951 0.83 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1POLBRECQL
SCHEMBL5857750 0.83 CACNA1G (0.60) ALDH1A1FAAHKMT2AMEN1HTR7
SCHEMBL10966316 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ETDP1POLBRECQL
Hydrochloric Acid SCHEMBL8479099 0.82 KMT2A (0.63) ALDH1A1KDM4EKMT2AMEN1HTR7
SCHEMBL4667455 0.81 HRH1 (0.67) ALDH1A1KDM4ETDP1SMN1; SMN2KMT2A
SCHEMBL572327 0.80 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL5182319 0.79 HTR7 (0.53) ALDH1A1KDM4ETDP1USP2HTR7

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