SCHEMBL7955428

SCHEMBL7955428

C[C](C)CCc1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.57
SLC6A3 Q01959 2/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
FFAR1 O14842 1/20 0.45
DAO P14920 1/20 0.45
DRD2 P14416 1/20 0.45
SLC6A4 P31645 1/20 0.45
MAOB P27338 2/20 0.44
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL2290 0.85 ALDH1A1 (0.60) TAAR1SLC6A3FFAR1DAOMAOB
SCHEMBL3371633 0.80 TAAR1 (0.74) TAAR1SLC6A3IDO1AGXTDAO
SCHEMBL7340106 0.80 TAAR1 (0.57) TAAR1SLC6A3FFAR1DAOCASP3
SCHEMBL3025521 0.79 TAAR1 (0.50) TAAR1IDO1AGXTMAOB
SCHEMBL334758 0.78 FFAR1 (0.68) TAAR1FFAR1CASP3CASP7
SCHEMBL23901663 0.78 IAPP (0.56) TAAR1FFAR1DAOMAOBCASP3
SCHEMBL22537825 0.78 TAAR1 (0.50) TAAR1SLC6A3IDO1AGXTDAO
SCHEMBL10110719 0.78 TAAR1 (0.50) TAAR1SLC6A3FFAR1DAODRD2
SCHEMBL1447034 0.77 TAAR1 (0.53) TAAR1SLC6A3FFAR1DAOCASP3
SCHEMBL2857831 0.77 TAAR1 (0.58) TAAR1IDO1AGXTFFAR1DAO

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
US-6274602-B1 ADMINISTERING COMPOSTITIONS SUCH AS 3,3-DIMETHYL-1-((2S)-2-(5-(3-PYRIDYL) PENTANOYL)-1-PYRROLIDINE)-1, 2-PENTANEDIONE TO TREAT ALOPECIA OR PROMOTING HAIR GROWTH IN ANIMALS GPI NIL HOLDINGS, INC. 2001-08-14 US disclosed