SCHEMBL8129145

SCHEMBL8129145

c1ccc(C2CC(c3ccc[nH]3)CCN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
PRCP P42785 1/20 0.33
SLC6A2 P23975 1/20 0.32
CHRNA7 P36544 2/20 0.31
KDM1A O60341 1/20 0.31
CYP2D6 P10635 2/20 0.30
CYP2C19 P33261 2/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL4237630 0.81 SLC18A3 (0.55) SLC18A3SIGMAR1MEN1KMT2ACHRNB2
SCHEMBL15580371 0.81 SLC18A3 (0.55) SLC18A3SIGMAR1MEN1KMT2ACHRNB2
SCHEMBL8123312 0.75 SLC18A3 (0.38) SLC18A3SIGMAR1MEN1KMT2ACHRNB2
SCHEMBL8115602 0.75 SLC18A3 (0.38) SLC18A3SIGMAR1MEN1KMT2ACHRNB2
SCHEMBL8131218 0.75 SLC18A3 (0.38) SLC18A3SIGMAR1MEN1KMT2ACHRNB2
SCHEMBL8126333 0.73 SLC18A3 (0.36) SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL8131236 0.73 SLC18A3 (0.36) SLC18A3SIGMAR1MEN1KMT2ASLC6A2
SCHEMBL8130024 0.72 SLC18A3 (0.35) SLC18A3SIGMAR1MEN1KMT2APRCP
SCHEMBL8130127 0.72 HTR2C (0.35) SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL8124539 0.72 CHRNA7 (0.36) SLC18A3SIGMAR1MEN1KMT2ASLC6A2

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-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP claimed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO claimed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed