SCHEMBL9957466

SCHEMBL9957466

CCc1c(N)cc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
KCNH2 Q12809 2/20 0.34
CHIT1 Q13231 1/20 0.34
CHIA Q9BZP6 1/20 0.34
S1PR1 P21453 2/20 0.33
S1PR5 Q9H228 2/20 0.33
GRK5 P34947 1/20 0.33
CDK8 P49336 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PRKX P51817 1/20 0.33
IKBKE Q14164 1/20 0.33
EPHX1 P07099 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.32
SMYD3 Q9H7B4 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
CNR1 P21554 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL9957248 0.86 KCNH2 (0.38) GRM2GRM3KCNH2CHIT1CHIA
SCHEMBL3577957 0.84 LMNA (0.37) RORCS1PR1S1PR5GRK5CDK8
SCHEMBL3574585 0.82 LMNA (0.42) GRM2GRM3KCNH2CHIT1CHIA
SCHEMBL3576111 0.79 LMNA (0.41) GRM2GRM3KCNH2CHIT1CHIA
SCHEMBL3576637 0.75 LMNA (0.41) S1PR1S1PR5LMNAHPGDCNR1
SCHEMBL3583120 0.75 GRM2 (0.37) GRM2GRM3KCNH2CHIT1CHIA
SCHEMBL3577493 0.73 LMNA (0.40) S1PR1S1PR5GRK5CDK8LMNA
SCHEMBL3576623 0.73 LMNA (0.41) S1PR1S1PR5GRK5CDK8TRPV1
SCHEMBL3577153 0.71 LMNA (0.42) S1PR1S1PR5GRK5CDK8LMNA
SCHEMBL3586134 0.71 SLC2A1 (0.36) S1PR1S1PR5GRK5CDK8TRPV1

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
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed