SCHEMBL20197097

SCHEMBL20197097

C=C(Cc1ccc(-c2ccccc2)cc1)CC1(CC(=O)OC)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.43
▸ TSHR P16473 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ STS P08842 1/20 0.39

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
SCHEMBL16838974 0.79 GPR119 (0.45) GPR119TSHRALOX15ATMUSP30
SCHEMBL2375967 0.74 PKM (0.56) GPR119TSHRALOX15ATMUSP30
SCHEMBL16761886 0.73 TSHR (0.41) GPR119TSHRALOX15ATMUSP30
SCHEMBL16838964 0.73 USP30 (0.42) GPR119USP30ACKR3HDAC1STS
SCHEMBL2375438 0.73 GPR119 (0.50) GPR119TSHRALOX15ATMUSP30
SCHEMBL16838949 0.72 ACHE (0.48) GPR119TSHRALOX15ATMTACR1
SCHEMBL19960620 0.72 USP2 (0.42) TSHRALOX15ATMUSP2ALDH1A1
SCHEMBL3493196 0.71 USP2 (0.39) TSHRALOX15ATMUSP2ALDH1A1
SCHEMBL1206023 0.70 TACR1 (0.53) TSHRALOX15ATMUSP30TACR1
SCHEMBL11932534 0.70 FAAH (0.57) ALDH1A1ACKR3

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-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
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