SCHEMBL4773243

SCHEMBL4773243

COc1ccc(-c2ccc3c(c2)CCC(N2CCSCC2)C3)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.39
BRD7 Q9NPI1 1/20 0.39
IDH1 O75874 2/20 0.38
PDE7A Q13946 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
GRIA2 P42262 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ESR1 P03372 1/20 0.33
OTUD7B Q6GQQ9 2/20 0.33
APLNR P35414 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PIK3CA P42336 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CYP2B6 P20813 1/20 0.32

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
SCHEMBL4130666 0.91 BRD9 (0.40) BRD9BRD7IDH1PDE7AHRH3
SCHEMBL4144552 0.90 BRD9 (0.40) BRD9BRD7IDH1PDE7AHRH3
SCHEMBL4136350 0.88 BRD9 (0.39) BRD9BRD7IDH1PDE7AHRH3
SCHEMBL4131005 0.86 IDH1 (0.37) BRD9BRD7IDH1PDE7AHRH3
SCHEMBL4139655 0.84 IDH1 (0.46) BRD9BRD7IDH1GRIA2HTR2A
SCHEMBL4128876 0.82 HRH3 (0.43) HRH3OTUD7BPIK3CACYP1A2CYP3A4
SCHEMBL4145752 0.79 IDH1 (0.36) BRD9BRD7IDH1HRH3GRIA2
SCHEMBL4152594 0.78 IDH1 (0.36) BRD9BRD7IDH1GRIA2HTR2A
SCHEMBL4136323 0.75 IDH1 (0.39) BRD9BRD7IDH1GRIA2HTR2C
SCHEMBL4140498 0.72 HRH3 (0.49) HRH3OTUD7BCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP claimed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 WO claimed