SCHEMBL4311842

SCHEMBL4311842

O=CC(N1CCN(c2ccc(F)cc2)CC1)n1ncc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.50
▸ MAPT P10636 9/20 0.45
▸ LMNA P02545 4/20 0.45
▸ ALDH1A1 P00352 6/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ MEN1 O00255 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HTT P42858 2/20 0.39
▸ GLS O94925 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ATM Q13315 1/20 0.37

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 0.82 POLB (0.47) POLBMAPTLMNAALDH1A1MAPK1
SCHEMBL4018419 0.78 MAPT (0.47) POLBMAPTLMNAALDH1A1MAPK1
SCHEMBL27642444 0.76 POLB (0.47) POLBMAPTLMNAALDH1A1MAPK1
SCHEMBL2868491 0.72 KMT2A (0.57) POLBMAPTLMNAALDH1A1MAPK1
SCHEMBL4572853 0.72 NR3C1 (0.56) POLBLMNAALDH1A1GLS
SCHEMBL30475930 0.71 GLS (0.55) POLBMAPTLMNAALDH1A1MEN1
SCHEMBL26805408 0.71 GLS (0.55) POLBMAPTLMNAALDH1A1MEN1
SCHEMBL12005574 0.70 POLB (1.00) POLBMAPTLMNAALDH1A1MAPK1
SCHEMBL31304574 0.68 GLS (0.55) POLBMAPTLMNAALDH1A1MEN1
SCHEMBL5352816 0.68 GLS (0.55) POLBMAPTLMNAALDH1A1MEN1

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
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