SCHEMBL22497760

SCHEMBL22497760

O=C(Cl)CCc1cccc(Br)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
IAPP P10997 3/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
GPR52 Q9Y2T5 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
THRA P10827 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
SCHEMBL22498572 0.86 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL2962744 0.83 TAAR1 (0.50) PPARGPPARATAAR1FFAR1FFAR4
SCHEMBL11349111 0.81 TAAR1 (0.55) TAAR1CTSGCMA1TNKSTNKS2
SCHEMBL18371375 0.81 IAPP (0.38) TAAR1IAPPFFAR1FFAR4GPR52
SCHEMBL17605475 0.81 IAPP (0.34) TAAR1IAPPPTGER1PTGER4PTGER3
SCHEMBL12719449 0.77 GPR17 (0.41) FFAR1FFAR4THRATHRBALDH1A1
SCHEMBL25392754 0.75 TAAR1 (0.41) PPARGPPARAMRGPRX4TAAR1GABRA1
SCHEMBL5902835 0.74 AKR1B1 (0.48) PPARGPPARAMRGPRX4
SCHEMBL3813861 0.73 TAAR1 (0.52) TAAR1
SCHEMBL31152963 0.72 GABRA1 (0.56) PPARGPPARAMRGPRX4TAAR1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113544129-B Tricyclic compound preparation method and application thereof in medicine field 上海华汇拓医药科技有限公司 2024-07-23 CN disclosed
CN-113544129-A Tricyclic compound preparation method and application thereof in medicine field 上海华汇拓医药科技有限公司 2021-10-22 CN disclosed
WO-2020200284-A1 PREPARATION METHOD FOR TRICYCLIC COMPOUND AND USE OF SAME IN FIELD OF MEDICINE 上海华汇拓医药科技有限公司 2020-10-08 WO disclosed