SCHEMBL3976295

SCHEMBL3976295

CN1CCNCC1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA7 P36544 1/20 0.55
CHRNA4 P43681 1/20 0.55
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC18A3 Q16572 2/20 0.39
HTR1A P08908 1/20 0.39
P2RX7 Q99572 1/20 0.38
SIGMAR1 Q99720 2/20 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
SCHEMBL470846 1.00 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18913839 1.00 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1579434 1.00 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL1722775 0.98 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL27673502 0.98 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27450280 0.91 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL409070 0.89 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7221060 0.88 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Tert-Butyl Formate SCHEMBL28018949 0.84 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL31322217 0.84 CHRNB2 (0.62) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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
WO-2009050227-A1 PYRIDAZINE DERIVATIVES FOR INHIBITING BETA AMYLOID PEPTIDE PRODUCTION GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed