SCHEMBL6580036

SCHEMBL6580036

O=Cc1cc(-n2cnnn2)ccc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.47
KMT2A Q03164 4/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4B Q07343 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
NOTUM Q6P988 1/20 0.40
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL6580030 0.81 KCNJ1 (0.48) KCNJ1KMT2AALDH1A1LMNAHTT
SCHEMBL24930073 0.81 KMT2A (0.44) KMT2AUSP2POLBALDH1A1LMNA
SCHEMBL6581553 0.80 KCNJ1 (0.46) KCNJ1KMT2AUSP2POLBALDH1A1
SCHEMBL311297 0.79 KCNJ1 (0.54) KCNJ1KMT2AALDH1A1LMNAHTT
SCHEMBL30845566 0.79 ALDH1A1 (0.54) KCNJ1KMT2AUSP2POLBALDH1A1
SCHEMBL8530663 0.76 HPGD (0.54) KCNJ1KMT2AUSP2POLBALDH1A1
SCHEMBL8523742 0.76 KCNJ1 (0.50) KCNJ1KMT2AALDH1A1LMNAHTT
SCHEMBL8466868 0.76 KCNJ1 (0.50) KCNJ1KMT2AALDH1A1LMNAHTT
SCHEMBL6580528 0.74 TACR1 (0.41) POLBPDE4B
SCHEMBL310636 0.72 KCNJ1 (0.58) KCNJ1ALDH1A1LMNASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802912-B1 PIPERIDINE DERIVATIVES HAVING TACHYKININ ANTAGONIST ACTIVITY GLAXO GROUP LTD (GB) 2004-10-13 EP disclosed
US-6020346-A Piperidine derivatives having tachykinin antagonist activity GLAXO WELLCOME INC. (US) 2000-02-01 US disclosed
EP-0802912-A1 PIPERIDINE DERIVATIVES HAVING TACHYKININ ANTAGONIST ACTIVITY GLAXO GROUP LIMITED (GB) 1997-10-29 EP disclosed
WO-1996021661-A1 PIPERIDINE DERIVATIVES HAVING TACHYKININ ANTAGONIST ACTIVITY GLAXO GROUP LIMITED (GB) 1996-07-18 WO disclosed