SCHEMBL14715536

SCHEMBL14715536

CC(C)(N)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.47
ADCY6 O43306 1/20 0.41
ADCY3 O60266 1/20 0.41
ADCY9 O60503 1/20 0.41
ADCY5 O95622 1/20 0.41
ADCY8 P40145 1/20 0.41
GCGR P47871 1/20 0.41
ADCY7 P51828 1/20 0.41
ADCY2 Q08462 1/20 0.41
ADCY1 Q08828 1/20 0.41
ADCY4 Q8NFM4 1/20 0.41
HSPH1 Q92598 1/20 0.40
FFAR1 O14842 8/20 0.39
EPHX2 P34913 1/20 0.38
CNR1 P21554 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ZAP70 P43403 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL223628 0.95 NR1H4 (0.44) NR1H4ADCY6ADCY3ADCY9ADCY5
SCHEMBL224590 0.93 NR1H4 (0.42) NR1H4ADCY6ADCY3ADCY9ADCY5
SCHEMBL227804 0.92 NR1H4 (0.41) NR1H4ADCY6ADCY3ADCY9ADCY5
SCHEMBL225866 0.91 NR1H4 (0.47) NR1H4ADCY6ADCY3ADCY9ADCY5
SCHEMBL4485266 0.91 NR1H4 (0.45) NR1H4ADCY6ADCY3ADCY9ADCY5
SCHEMBL226732 0.90 FFAR1 (0.40) NR1H4HSPH1FFAR1ZAP70
SCHEMBL226731 0.90 FFAR1 (0.40) NR1H4HSPH1FFAR1ZAP70
SCHEMBL3676826 0.90 NR1H4 (0.45) NR1H4FFAR1EPHX2POLBPTGDR2
SCHEMBL226534 0.89 NR1H4 (0.38) NR1H4ADCY6ADCY3ADCY9ADCY5
SCHEMBL223541 0.88 FFAR1 (0.43) NR1H4FFAR1LMNAPOLBSMN1; SMN2

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-1523473-B1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2013-02-27 EP claimed