SCHEMBL22270597

SCHEMBL22270597

CC(O)Cc1ccc(CCNc2ccc(-c3nccnc3OCc3ccccc3Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ FFAR1 O14842 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ MAOB P27338 4/20 0.36
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ CYP19A1 P11511 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
SCHEMBL22271025 0.78 FFAR1 (0.37) FFAR1F2KCNH2GRIN2BADRB1
SCHEMBL19205697 0.77 KCNJ5 (0.48) MAPTADRB1ADRB3RAB9A
SCHEMBL22271065 0.77 HTR7 (0.42) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL22270650 0.72 TRPV1 (0.37) MAPTMAOBALDH1A1L3MBTL1
SCHEMBL18448801 0.70 MPO (0.44) MAOBMAOA
SCHEMBL22271075 0.70 RXRA (0.31) —
SCHEMBL18449672 0.66 KMT2A (0.47) MAPTMAOBALDH1A1L3MBTL1RAB9A
SCHEMBL22271071 0.61 CNR1 (0.39) CYP3A4
SCHEMBL26268493 0.61 TAAR1 (0.62) GAAMAPTFFAR1KCNH2THRB
SCHEMBL3908446 0.60 TAAR1 (0.60) MAPTFFAR1MAOBALDH1A1L3MBTL1

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-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
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