SCHEMBL8078432

SCHEMBL8078432

CCN(CC)C(=O)c1cccc(I)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.67
TDP1 Q9NUW8 1/20 0.67
ALDH1A1 P00352 5/20 0.54
LMNA P02545 4/20 0.54
TSHR P16473 1/20 0.54
HSP90AA1 P07900 5/20 0.51
HSP90AB1 P08238 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 1/20 0.50
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
CYP1A2 P05177 1/20 0.47
BLM P54132 1/20 0.47
PPARG P37231 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL7406512 0.87 HPGD (0.79) HPGDTDP1ALDH1A1LMNATSHR
SCHEMBL13268531 0.86 HPGD (0.51) HPGDTDP1ALDH1A1LMNATSHR
SCHEMBL317446 0.81 LMNA (0.53) HPGDTDP1ALDH1A1LMNATSHR
SCHEMBL29386132 0.80 HPGD (0.69) HPGDTDP1ALDH1A1LMNATSHR
Diethyltoluamide SCHEMBL29374310 0.80 HPGD (1.00) HPGDTDP1ALDH1A1LMNATSHR
SCHEMBL2566192 0.80 HPGD (0.69) HPGDTDP1ALDH1A1LMNATSHR
SCHEMBL4300450 0.80 HPGD (0.69) HPGDTDP1ALDH1A1LMNATSHR
SCHEMBL1867393 0.80 HPGD (0.69) HPGDTDP1ALDH1A1LMNATSHR
Diethyltoluamide SCHEMBL29976 0.80 HPGD (1.00) HPGDTDP1ALDH1A1LMNATSHR
Diethyltoluamide SCHEMBL3797487 0.80 HPGD (1.00) HPGDTDP1ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711289-B1 PIPERAZINE COMPOUNDS USED IN THERAPY DELTA PHARMACEUTICALS INC (US) 2000-08-23 EP disclosed
US-5681830-A DIARYLMETHYL PIPERAZINE COMPOUNDS HAVING UTILITY IN MEDICAL THERAPY AS RECEPTOR-BINDING SPECIES DELTA PHARMACEUTICALS, INC. (US) 1997-10-28 US disclosed
US-5574159-A DIARYLMETHYL PIPERAZINES, RECEPTOR BINDING DELTA PHARMACEUTICALS, INC. (US) 1996-11-12 US disclosed
US-5552404-A COMPOUNDS FOR NEUROTRANSMITTERS FOR ANIMALS DELTA PHARMACEUTICALS, INC. (US) 1996-09-03 US disclosed
EP-0711289-A1 PIPERAZINE COMPOUNDS USED IN THERAPY DELTA PHARMACEUTICALS, INC. (US) 1996-05-15 EP disclosed
WO-1995004051-A1 PIPERAZINE COMPOUNDS USED IN THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-02-09 WO disclosed
US-4853382-A TREATING ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
US-4730008-A STIMULANT FOR BETA-ADRENORECEPTORS GLAXO GROUP LIMITED (GB) 1988-03-08 US disclosed