SCHEMBL8715451

SCHEMBL8715451

Cc1ccccc1CC(C)(C[C@H](N)O)c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.37
NR3C1 P04150 1/20 0.36
ACHE P22303 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
GNRHR P30968 4/20 0.34
RIPK1 Q13546 2/20 0.33
KIF11 P52732 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR3C2 P08235 1/20 0.32
SSTR4 P31391 1/20 0.32
KCNN4 O15554 2/20 0.31

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
SCHEMBL8714096 0.90 ADRB2 (0.38) TAAR1NR3C1ADRB2ADRB1KDM4E
SCHEMBL8716822 0.86 ADRB2 (0.39) TAAR1NR3C1ADRB2ADRB1KIF11
SCHEMBL8716208 0.85 SLC6A2 (0.38) TAAR1NR3C1ADRB2ADRB1GNRHR
SCHEMBL8714126 0.85 KIF11 (0.33) NR3C1ADRB2ADRB1GNRHRKIF11
SCHEMBL8720320 0.83 NR3C1 (0.41) TAAR1NR3C1GNRHRALDH1A1GAA
SCHEMBL8714179 0.83 NR3C1 (0.46) TAAR1NR3C1KDM4EALDH1A1GAA
SCHEMBL8718439 0.81 CYP2C19 (0.38) TAAR1ADRB2ADRB1RIPK1KIF11
SCHEMBL8714242 0.80 SLC6A2 (0.38) TAAR1NR3C1ADRB2ADRB1NR3C2
SCHEMBL8713638 0.80 MEN1 (0.35) TAAR1NR3C1ADRB2ADRB1KIF11
SCHEMBL8713631 0.78 RXRA (0.42) GAATDP1

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-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed