SCHEMBL13680787

SCHEMBL13680787

O=CCCc1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.56
KIF11 P52732 3/20 0.46
MAOB P27338 2/20 0.46
PTPN5 P54829 5/20 0.45
MGLL Q99685 1/20 0.44
FFAR1 O14842 3/20 0.43
CASR P41180 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
DHODH Q02127 1/20 0.41
SLC13A5 Q86YT5 1/20 0.40

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
SCHEMBL18003547 0.89 MAOB (0.50) AGXTKIF11MAOBPTPN5TAAR1
SCHEMBL11932723 0.84 MAOB (0.58) KIF11MAOBTAAR1
SCHEMBL66607 0.82 TAAR1 (0.61) TAAR1
SCHEMBL418611 0.82 GPR52 (0.50) AGXTFFAR1
SCHEMBL13680786 0.81 CHRM2 (0.46) AGXTSLC13A5
SCHEMBL27962427 0.80 AGXT (0.60) AGXTKIF11MAOBPTPN5MGLL
SCHEMBL13182829 0.80 AGXT (0.60) AGXTKIF11MAOBPTPN5MGLL
SCHEMBL2652456 0.80 AGXT (0.60) AGXTKIF11MAOBPTPN5MGLL
Formaldehyde SCHEMBL28263667 0.80 TAAR1 (0.57) TAAR1
SCHEMBL8413593 0.80 TAAR1 (0.44) AGXTMAOBTAAR1

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed