SCHEMBL14833216

SCHEMBL14833216

O=C(NC1CC2CN(C(=O)c3ccc(F)cc3)CCN2C1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 9/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HSD11B1 P28845 1/20 0.51
▸ L3MBTL3 Q96JM7 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ UBE2M P61081 1/20 0.48
▸ DCUN1D1 Q96GG9 1/20 0.48
▸ KCNH2 Q12809 1/20 0.47
▸ ABL1 P00519 1/20 0.46
▸ BCR P11274 1/20 0.46
▸ POLB P06746 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL14815069 1.00 CCR2 (0.54) CCR2MEN1KMT2AHSD11B1L3MBTL3
SCHEMBL14815282 0.96 HSD11B1 (0.53) CCR2MEN1KMT2AHSD11B1L3MBTL3
SCHEMBL14833207 0.96 HSD11B1 (0.53) CCR2MEN1KMT2AHSD11B1L3MBTL3
SCHEMBL14833264 0.92 MEN1 (0.53) CCR2MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL14815112 0.92 MEN1 (0.53) CCR2MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL14833250 0.90 L3MBTL3 (0.56) CCR2MEN1KMT2AHSD11B1L3MBTL3
SCHEMBL14815270 0.90 L3MBTL3 (0.56) CCR2MEN1KMT2AHSD11B1L3MBTL3
SCHEMBL14830396 0.88 KMT2A (0.50) CCR2MEN1KMT2AHSD11B1L3MBTL3
SCHEMBL14814550 0.88 KMT2A (0.50) CCR2MEN1KMT2AHSD11B1L3MBTL3
SCHEMBL14815167 0.88 KMT2A (0.50) CCR2MEN1KMT2AHSD11B1L3MBTL3

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
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO claimed
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO disclosed
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