SCHEMBL5043022

SCHEMBL5043022

Cc1cccc(N2CCN(O)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.62
▸ KCNH2 Q12809 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.59
▸ MAPT P10636 2/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ DHFR P00374 2/20 0.50
▸ NOTUM Q6P988 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PHGDH O43175 1/20 0.49
▸ HTR7 P34969 1/20 0.49

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
SCHEMBL10373770 0.90 ADRB1 (0.74) ADRB1KCNH2ALDH1A1MAPTRAB9A
SCHEMBL11103700 0.90 ADRB1 (0.74) ADRB1KCNH2ALDH1A1MAPTRAB9A
SCHEMBL11096302 0.84 KCNH2 (0.73) ADRB1KCNH2ALDH1A1MAPTRAB9A
SCHEMBL7924167 0.82 KCNH2 (0.67) ADRB1KCNH2ALDH1A1MAPTRAB9A
SCHEMBL8264176 0.82 ADRB1 (0.69) ADRB1KCNH2ALDH1A1MAPTRAB9A
SCHEMBL12991 0.82 ADRB1 (0.69) ADRB1KCNH2ALDH1A1MAPTRAB9A
SCHEMBL11211650 0.81 ADRB1 (0.62) ADRB1KCNH2ALDH1A1MAPTRAB9A
SCHEMBL3307690 0.80 ADRB1 (0.67) ADRB1KCNH2ALDH1A1MAPTRAB9A
SCHEMBL17281442 0.80 ADRB1 (0.67) ADRB1KCNH2ALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL27827352 0.80 ADRB1 (0.67) ADRB1KCNH2ALDH1A1MAPTRAB9A

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
EP-1622569-A4 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2008-08-27 — — EP disclosed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 — — EP disclosed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 — — WO disclosed
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