SCHEMBL27642444

SCHEMBL27642444

O=C(C(Cn1ncc2cc([N+](=O)[O-])ccc21)N1CCN(c2ccc(F)cc2)CC1)C(Cn1ncc2cc([N+](=O)[O-])ccc21)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ GLS O94925 1/20 0.46
▸ MAPT P10636 9/20 0.45
▸ LMNA P02545 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ SERPINE1 P05121 1/20 0.44
▸ ENPP2 Q13822 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HTT P42858 2/20 0.40

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
SCHEMBL27642448 0.85 POLB (0.47) POLBGLSMAPTLMNAMEN1
SCHEMBL2868491 0.82 KMT2A (0.57) POLBGLSMAPTLMNAMEN1
SCHEMBL27642538 0.80 ALDH1A1 (0.45) POLBMAPTLMNAMEN1KMT2A
SCHEMBL4311842 0.76 POLB (0.50) POLBGLSMAPTLMNAMEN1
SCHEMBL14910007 0.75 GLS (0.65) POLBGLSMAPTLMNAMEN1
SCHEMBL27642455 0.72 LMNA (0.53) POLBMAPTLMNAMEN1KMT2A
SCHEMBL5435879 0.72 GLS (0.61) POLBGLSKMT2AHTT
SCHEMBL16931094 0.71 GLS (0.62) POLBGLSMAPTLMNAMEN1
SCHEMBL17060346 0.70 GLS (0.65) POLBGLSMAPTLMNAMEN1
SCHEMBL4572853 0.70 NR3C1 (0.56) POLBGLSLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1867336-B 1-aryl-4-substituted piperazines derivatives and pharmaceutical use thereof CHEMOCENTRYX INC 2010-05-12 — — CN disclosed
CN-100542534-C Substituted piperazines CHEMOCENTRYX INC (US) 2009-09-23 — — CN disclosed
CN-1867336-A 1-aryl-4-substituted piperazines derivatives for use as CCR1 antagonists for the treatment of inflammation and immune disorders CHEMOCENTRYX INC (US) 2006-11-22 — — CN disclosed
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