SCHEMBL4445391

SCHEMBL4445391

O=C(O)C(CCc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
S1PR1 P21453 1/20 0.53
GRK5 P34947 1/20 0.53
CDK8 P49336 1/20 0.53
S1PR5 Q9H228 1/20 0.53
EPHX1 P07099 5/20 0.52
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
ACP3 P15309 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
GRM2 Q14416 1/20 0.49
GRM3 Q14832 1/20 0.49
FFAR1 O14842 2/20 0.49
FFAR4 Q5NUL3 2/20 0.49
NR4A2 P43354 2/20 0.49
HTR2A P28223 1/20 0.49

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
SCHEMBL11360753 0.91 HDAC1 (0.56) TAAR1S1PR1GRK5CDK8S1PR5
SCHEMBL27667672 0.88 TAAR1 (0.53) TAAR1S1PR1GRK5CDK8S1PR5
SCHEMBL25264032 0.86 SLC1A5 (0.57) TAAR1S1PR1GRK5CDK8S1PR5
SCHEMBL25185920 0.86 SLC1A5 (0.57) TAAR1S1PR1GRK5CDK8S1PR5
SCHEMBL31273982 0.83 HTR2A (0.60) TAAR1EPHX1PPARGPPARAACP3
SCHEMBL3470487 0.83 HTR2A (0.60) TAAR1EPHX1PPARGPPARAACP3
SCHEMBL31688650 0.83 HDAC1 (0.48) TAAR1S1PR1GRK5CDK8S1PR5
SCHEMBL5553560 0.82 TAAR1 (0.47) TAAR1S1PR1GRK5CDK8S1PR5
SCHEMBL7060388 0.81 KDM4E (0.48) TAAR1EPHX1MEN1KMT2AMAPT
SCHEMBL28748129 0.81 MMP2 (0.56) TAAR1S1PR1GRK5CDK8S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137187-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE Inovacia AB (SE) 2009-12-30 EP disclosed
WO-2008116898-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE BIOVITRUM AB (PUBL) (SE) 2008-10-02 WO disclosed
EP-0513974-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 EP disclosed
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 US disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 WO disclosed