SCHEMBL5050640

SCHEMBL5050640

NCC(C=O)C(c1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RECQL P46063 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
DRD2 P14416 4/20 0.41
DRD4 P21917 3/20 0.41
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
BCL2A1 Q16548 1/20 0.40
CCR1 P32246 1/20 0.39
MAPK1 P28482 1/20 0.39
DRD1 P21728 2/20 0.39
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL5045696 0.82 IGF1R (0.43) MAPTLMNASMN1; SMN2L3MBTL1ALOX12
SCHEMBL6032145 0.73 MAPT (0.51) MAPTLMNASMN1; SMN2L3MBTL1ALOX12
SCHEMBL27918172 0.68 MAPT (0.59) MAPTLMNASMN1; SMN2L3MBTL1ALOX12
SCHEMBL14015983 0.68 ADRB1 (0.48) MAPTLMNASMN1; SMN2HTTMEN1
SCHEMBL2114232 0.67 ADRB1 (0.49) MAPTHTTCCR1MAPK1ADRB1
SCHEMBL5048319 0.67 IGF1R (0.49) MAPTLMNASMN1; SMN2L3MBTL1ALOX12
SCHEMBL4498602 0.66 HTT (0.58) MAPTLMNASMN1; SMN2HTTMEN1
SCHEMBL11955710 0.66 MAPT (0.59) MAPTLMNASMN1; SMN2L3MBTL1ALOX12
SCHEMBL3972047 0.65 MAPT (0.54) MAPTLMNASMN1; SMN2L3MBTL1ALOX12
SCHEMBL2115330 0.65 ADRB1 (0.69) ADRB1

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-1973880-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Brystol-Myers Squibb Company (US) 2008-10-01 EP disclosed
WO-2007087585-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-02 WO disclosed