SCHEMBL6936671

SCHEMBL6936671

CC1(C(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.62
MAPK1 P28482 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
P2RX7 Q99572 1/20 0.50
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
KCNMA1 Q12791 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
PHGDH O43175 1/20 0.47
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6930768 0.81 MAPK1 (0.77) MAPK1KMT2AMEN1P2RX7ALDH1A1
SCHEMBL27514539 0.80 KMT2A (0.50) MAPK1KMT2AMEN1PDK1PDK2
SCHEMBL1524902 0.78 P2RX7 (0.73) CETPP2RX7ALDH1A1LMNATP53
SCHEMBL30936627 0.77 MAPK1 (0.46) MAPK1KMT2AMEN1PDK1PDK2
SCHEMBL1524900 0.77 CETP (0.68) CETPP2RX7
SCHEMBL1524592 0.77 CETP (1.00) CETPP2RX7TP53
SCHEMBL1524951 0.77 CETP (0.68) CETPP2RX7
SCHEMBL993166 0.75 CETP (1.00) CETPP2RX7
SCHEMBL8344161 0.75 KMT2A (0.54) MAPK1KMT2AMEN1ALDH1A1LMNA
SCHEMBL733777 0.74 KMT2A (0.69) KMT2AMEN1PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000047-B1 1-(N-PHENYLAMINOALKYL)-PIPERAZINE DERIVATIVES SUBSTITUTED AT POSITION 2 OF THE PHENYL RING RECORDATI CHEM PHARM (CH) 2003-12-17 EP disclosed
CN-1127493-C 1-(N-phenylaminoalkyl)-piperazine derivatives substituted at position 2 of phenyl ring RECORDATI CHEM PHARM (CH) 2003-11-12 CN disclosed
US-6399614-B1 TREATING NEUROMUSCULAR DYSFUNCTION OF LOWER URINARY TRACT VIA PERIPHERAL OR CENTRAL NERVOUS SYSTEM; SEROTONIN RECEPTOR ANTAGONIST RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-04 US disclosed
CN-1265654-A 1-(N-phenylaminoalkyl)-piperazine derivatives substituted at position 2 of phenyl ring RECORDATI CHEM PHARM (CH) 2000-09-06 CN disclosed
US-6071920-A BIND TO 5HT 1A RECEPTORS FOR TREATING DISORDERS OF THE LOWER URINARY TRACT; CNS DISORDERS; ANXIOLYTIC AGENTS; ANTIDEPRESSANTS; HYPOTENSIVE AGENTS; SLEEP AND EATING DISORDERS RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2000-06-06 US disclosed
EP-1000047-A1 1-(N-PHENYLAMINOALKYL)-PIPERAZINE DERIVATIVES SUBSTITUTED AT POSITION 2 OF THE PHENYL RING RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2000-05-17 EP disclosed
WO-1999006384-A1 1-(N-PHENYLAMINOALKYL)-PIPERAZINE DERIVATIVES SUBSTITUTED AT POSITION 2 OF THE PHENYL RING RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-02-11 WO disclosed