SCHEMBL8167158

SCHEMBL8167158

CCCNC(=O)c1ccc(N(CC)Cc2cc(Br)ccc2OCc2ccccc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
USP28 Q96RU2 1/20 0.44
USP25 Q9UHP3 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.43
MTNR1B P49286 1/20 0.43
PTGER1 P34995 4/20 0.43
CYP1A2 P05177 1/20 0.42
CCR5 P51681 4/20 0.42
BRD4 O60885 3/20 0.42
RXRA P19793 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8161075 0.92 LMNA (0.48) RAB9ASMN1; SMN2USP28USP25LMNA
SCHEMBL8807401 0.91 LMNA (0.45) USP28USP25LMNAHTTMTNR1B
SCHEMBL8808890 0.89 MTNR1B (0.45) USP28USP25LMNAHTTMTNR1B
SCHEMBL1907786 0.88 RXRA (0.53) RAB9AUSP28USP25LMNAPTGER1
SCHEMBL8167573 0.88 LMNA (0.55) SMN1; SMN2LMNAHTTPTGER1CYP1A2
SCHEMBL7662467 0.87 CCR5 (0.45) RAB9ASMN1; SMN2USP28USP25LMNA
SCHEMBL8155064 0.86 PTGER1 (0.41) RAB9AUSP28USP25LMNAHTT
SCHEMBL8167295 0.86 PTGER1 (0.46) RAB9AUSP28USP25LMNAHTT
SCHEMBL8167536 0.86 USP28 (0.46) RAB9AUSP28USP25LMNAHTT
SCHEMBL8154577 0.86 GPR132 (0.46) RAB9AUSP28USP25LMNAPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773930-B1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LTD (GB) 2000-10-11 EP disclosed
US-5843942-A Aromatic amino ethers as pain relieving agents ZENECA LIMITED (GB) 1998-12-01 US disclosed
EP-0773930-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1997-05-21 EP disclosed