SCHEMBL6221889

SCHEMBL6221889

CC(NC(C)c1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ UGT2B7 P16662 1/20 0.55
▸ MMP9 P14780 1/20 0.53
▸ SLC6A2 P23975 12/20 0.47
▸ SLC6A4 P31645 12/20 0.47
▸ SLC6A3 Q01959 12/20 0.47
▸ KCNH2 Q12809 11/20 0.47
▸ CYP2D6 P10635 10/20 0.47
▸ CYP3A4 P08684 7/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL15131117 1.00 UGT2B7 (0.55) UGT2B7MMP9SLC6A2SLC6A4SLC6A3
SCHEMBL12871846 0.94 UGT2B7 (0.61) UGT2B7MMP9SLC6A2SLC6A4SLC6A3
SCHEMBL23742756 0.86 UGT2B7 (0.57) UGT2B7MMP9SLC6A2SLC6A4SLC6A3
SCHEMBL15979349 0.86 UGT2B7 (0.57) UGT2B7MMP9SLC6A2SLC6A4SLC6A3
SCHEMBL6220348 0.83 CASR (0.55) UGT2B7MMP9SLC6A2CYP1A2SIGMAR1
SCHEMBL283979 0.81 SIGMAR1 (0.61) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL1200137 0.81 SIGMAR1 (0.61) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL30763462 0.81 SIGMAR1 (0.61) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL8437895 0.81 SIGMAR1 (0.61) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3749295 0.81 SIGMAR1 (0.61) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553078-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2005-07-13 — — EP disclosed
EP-1275635-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2003-01-15 — — EP disclosed
EP-1203761-A2 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2002-05-08 — — EP disclosed
US-6211244-B1 AROMATIC AMINES FOR COMPLEXING CALCIUM NPS PHARMACEUTICALS, INC. 2001-04-03 — — US disclosed
WO-1996012697-A9 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMA INC (US) 2000-08-24 — — WO disclosed
EP-0787122-A2 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-08-06 — — EP disclosed
WO-1996012697-A2 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1996-05-02 — — WO disclosed
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