SCHEMBL8069279

SCHEMBL8069279

CCN(CC)C(=O)c1cccc(C(O)c2cccc(O[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRD1 P41143 4/20 0.40
OPRM1 P35372 2/20 0.40
F10 P00742 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4575639 0.92 OPRD1 (0.46) OPRD1OPRM1
SCHEMBL8083626 0.90 HPGD (0.43) HPGDTDP1LMNATSHRNPC1
SCHEMBL4576731 0.83 OPRD1 (0.46) OPRD1OPRM1
SCHEMBL4576368 0.83 OPRD1 (0.41) OPRD1OPRM1
SCHEMBL6936151 0.81 HPGD (0.55) HPGDTDP1LMNATSHRNPC1
SCHEMBL2751386 0.78 SRD5A2 (0.39) HPGDLMNATSHRRAB9AHSP90AA1
SCHEMBL6271969 0.76 OPRD1 (0.75) OPRD1OPRM1
SCHEMBL8076860 0.76 CA12 (0.37) HSP90AA1HSP90AB1
SCHEMBL6102674 0.75 LMNA (0.50) HPGDLMNATSHRNPC1RAB9A
SCHEMBL4576566 0.74 CA12 (0.36) HSP90AA1HSP90AB1

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-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