SCHEMBL9037762

SCHEMBL9037762

[CH2]C1(c2ccc(F)cc2)CCCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.48
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 1/20 0.44
HSD11B1 P28845 3/20 0.43
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
RORC P51449 8/20 0.39
NR1I2 O75469 6/20 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
Ammonia Solution, Strong SCHEMBL27575342 1.00 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2HSD11B1MAOB
SCHEMBL4029191 0.80 HDAC3 (0.38) SLC6A3SLC6A4SLC6A2HSD11B1MAOB
SCHEMBL8116292 0.76 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2HSD11B1MAOB
SCHEMBL497951 0.75 DPP4 (0.46) SLC6A3SLC6A4SLC6A2
SCHEMBL4987791 0.74 KMT2A (0.44) HSD11B1MAOBMAOA
SCHEMBL29259636 0.74 SLC6A3 (0.52) SLC6A3SLC6A4SLC6A2HSD11B1
SCHEMBL11904242 0.74 MAOB (0.36) SLC6A3SLC6A4SLC6A2HSD11B1MAOB
SCHEMBL11904240 0.74 MAOB (0.36) SLC6A3SLC6A4SLC6A2HSD11B1MAOB
SCHEMBL5467676 0.73 GRIN2D (0.47) SLC6A3SLC6A4SLC6A2
SCHEMBL19093772 0.73 ESR1 (0.60) SLC6A3SLC6A4SLC6A2HSD11B1MAOB

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-0495982-B1 BICYCLIC PYRIMIDINE DERIVATIVE, METHOD OF PRODUCING THE SAME, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 1996-06-12 EP disclosed
US-5378700-A Against hypoxemia of respiratory diseases TEIJIN LIMITED (JP) 1995-01-03 US disclosed
EP-0495982-A1 BICYCLIC PYRIMIDINE DERIVATIVE, METHOD OF PRODUCING THE SAME, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1992-07-29 EP disclosed