SCHEMBL7541869

SCHEMBL7541869

CSc1cccc(Br)c1.CSc1cccc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.42
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RORC P51449 2/20 0.39
▸ USP30 Q70CQ3 2/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38

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
SCHEMBL4820978 0.94 GPR119 (0.46) GPR119TSHRALOX15ATMTACR1
SCHEMBL19690249 0.89 TSHR (0.46) GPR119TSHRALOX15ATMTACR1
SCHEMBL7831565 0.79 GPR119 (0.54) GPR119TSHRALOX15ATMTACR1
SCHEMBL521464 0.78 NR1H2 (0.48) GPR119TSHRALOX15ATMTACR1
SCHEMBL3028439 0.78 STS (0.50) TSHRALOX15ATMTACR1ALDH1A1
SCHEMBL4293214 0.78 OPRM1 (0.49) GPR119TSHRALOX15ATMTACR1
SCHEMBL29892887 0.78 STS (0.50) TSHRALOX15ATMTACR1ALDH1A1
SCHEMBL15212259 0.77 RORC (0.48) GPR119TSHRALOX15ATMTACR1
SCHEMBL3525203 0.77 TACR1 (0.46) GPR119TSHRALOX15ATMTACR1
SCHEMBL1010791 0.77 GPR119 (0.43) GPR119TSHRALOX15ATMTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240142-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 — — EP disclosed
WO-2001046145-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 — — WO disclosed
Send feedback