SCHEMBL4013778

SCHEMBL4013778

O=CC(Cl)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
AKR1C3 P42330 5/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CHIA Q9BZP6 1/20 0.44
DRD4 P21917 1/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4014691 0.85 MAPT (0.49) AKR1C3ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4749380 0.82 ALDH1A1 (0.54) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL3659769 0.81 HSD11B1 (0.47) ALDH1A1LMNAHTTDRD4MAPT
SCHEMBL15740363 0.81 CA2 (0.49) AKR1C3SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL7630502 0.80 CHIA (0.45) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL13738473 0.80 ALDH1A1 (0.50) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL8760113 0.80 SIRT6 (0.56) ADRB1AKR1C3ALDH1A1LMNASMN1; SMN2
SCHEMBL4611202 0.79 AKR1C3 (0.47) AKR1C3ALDH1A1MEN1KMT2ADRD4
SCHEMBL29998630 0.77 HTR3E (0.70) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL870704 0.77 HTR3E (0.70) HTR3EHTR3BADRB1HTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 WO disclosed