SCHEMBL7516695

SCHEMBL7516695

COC1=CCN(c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.42
SIGMAR1 Q99720 4/20 0.40
DRD2 P14416 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 2/20 0.39
CYP3A4 P08684 1/20 0.39
CHRNB2 P17787 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
APOBEC3A P31941 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8780579 0.81 LTA4H (0.44) CHRNA7SIGMAR1DRD2LMNAMAPT
SCHEMBL8911501 0.77 CHRNA7 (0.48) CHRNA7SIGMAR1DRD2LMNAMAPT
SCHEMBL8910752 0.77 TRPV1 (0.44) LMNAMAPK1HSD17B10MEN1KMT2A
SCHEMBL17888252 0.76 CHRNA7 (0.46) CHRNA7SIGMAR1DRD2LMNAMAPT
SCHEMBL16049287 0.73 HTT (0.36) DRD2LMNAMAPTMAPK1POLB
SCHEMBL21078124 0.72 CHRNA7 (0.41) CHRNA7SIGMAR1DRD2LMNAMAPT
SCHEMBL11834602 0.72 CHRNA7 (0.41) CHRNA7SIGMAR1DRD2LMNAMAPT
SCHEMBL13945550 0.71 ALDH1A1 (0.42) CHRNA7SIGMAR1DRD2LMNAMAPT
Hydrochloric Acid SCHEMBL1596638 0.70 DRD4 (0.50) SIGMAR1DRD2MAPTALOX15MEN1
SCHEMBL10263391 0.67 LMNA (0.58) SIGMAR1LMNAMAPTMEN1KMT2A

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-0786462-B1 DC107 derivatives KYOWA HAKKO KOGYO KK (JP) 2002-09-18 EP disclosed
US-5733924-A BACTERICIDES AND ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-03-31 US disclosed
EP-0786462-A1 DC107 DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-30 EP disclosed