SCHEMBL6930768

SCHEMBL6930768

O=C(Nc1ccccc1[N+](=O)[O-])C1(c2ccccc2)CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.77
L3MBTL1 Q9Y468 2/20 0.57
HDAC4 P56524 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 2/20 0.50
RAB9A P51151 2/20 0.50
HDAC1 Q13547 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
FTO Q9C0B1 1/20 0.49
P2RX7 Q99572 1/20 0.49
MAPT P10636 1/20 0.48
HTR1E P28566 1/20 0.48
S1PR3 Q99500 1/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6936671 0.81 CETP (0.62) MAPK1MEN1KMT2ANPSR1LMNA
SCHEMBL14491597 0.76 L3MBTL1 (0.60) L3MBTL1HDAC4NPSR1LMNAGAA
SCHEMBL175272 0.73 MEN1 (0.71) MAPK1L3MBTL1MEN1KMT2ANPSR1
SCHEMBL113558 0.73 MEN1 (0.71) MAPK1L3MBTL1MEN1KMT2ANPSR1
SCHEMBL27514539 0.73 KMT2A (0.50) MAPK1MEN1KMT2ANPSR1LMNA
SCHEMBL18400472 0.73 LMNA (0.61) L3MBTL1MEN1KMT2ANPSR1LMNA
SCHEMBL17502816 0.72 HDAC4 (1.00) L3MBTL1HDAC4MEN1KMT2ANPSR1
SCHEMBL16132896 0.72 HDAC4 (1.00) L3MBTL1HDAC4MEN1KMT2ANPSR1
SCHEMBL6857920 0.71 KMT2A (0.73) MAPK1L3MBTL1MEN1KMT2ANPSR1
SCHEMBL11332310 0.71 KMT2A (0.73) MAPK1L3MBTL1MEN1KMT2ANPSR1

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 6 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
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