SCHEMBL8810232

SCHEMBL8810232

CCN(Cc1ccccc1OCc1cccc(Br)c1)c1ccc(C(N)=O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.49
PARP10 Q53GL7 2/20 0.49
PARP14 Q460N5 1/20 0.49
MAOB P27338 3/20 0.42
PARP1 P09874 2/20 0.42
PARP2 Q9UGN5 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
RXRA P19793 1/20 0.40
SLC1A5 Q15758 3/20 0.40
PTGER1 P34995 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
STAT3 P40763 1/20 0.38
STAT1 P42224 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
SCHEMBL27406198 0.92 RXRA (0.49) PARP15PARP10PARP14MAOBRXRA
SCHEMBL8167295 0.89 PTGER1 (0.46) RXRAPTGER1ALDH1A1LMNARAB9A
SCHEMBL27430980 0.81 PDCD1 (0.41) MAOBPTGER1ALDH1A1LMNASMN1; SMN2
SCHEMBL8162467 0.81 RXRA (0.55) RXRAPTGER1MEN1ALDH1A1KMT2A
SCHEMBL1907786 0.81 RXRA (0.53) RXRAPTGER1ALDH1A1LMNARAB9A
SCHEMBL7662467 0.79 CCR5 (0.45) RXRAPTGER1ALDH1A1LMNARAB9A
SCHEMBL8161455 0.78 PTGER1 (0.54) RXRAPTGER1MRGPRX4
SCHEMBL7816483 0.77 GBA1 (0.46) PARP1MEN1ALDH1A1MAPTRAB9A
SCHEMBL8162566 0.76 CCR5 (0.45) RXRAPTGER1
SCHEMBL8161075 0.76 LMNA (0.48) PTGER1MEN1ALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773930-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1997-05-21 EP disclosed