SCHEMBL7408341

SCHEMBL7408341

COc1ccccc1Oc1ccncc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.72
ALDH1A1 P00352 3/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
MAPK1 P28482 1/20 0.72
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.43
MTNR1B P49286 1/20 0.43
TTR P02766 3/20 0.42

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
SCHEMBL3627857 0.84 HTT (1.00) HTTALDH1A1L3MBTL1MAPK1CA12
SCHEMBL791852 0.82 HTT (0.86) HTTALDH1A1L3MBTL1MAPK1CA12
SCHEMBL14191209 0.80 ALDH1A1 (0.91) HTTALDH1A1L3MBTL1MAPK1CA12
SCHEMBL15015154 0.79 MAPK14 (0.55) HTTALDH1A1L3MBTL1MAPK1TSHR
SCHEMBL11573009 0.79 ALDH1A1 (0.59) HTTALDH1A1L3MBTL1MAPK1CA12
SCHEMBL6444082 0.77 HTT (0.83) HTTALDH1A1L3MBTL1MAPK1CA12
SCHEMBL29377831 0.77 HTT (0.83) HTTALDH1A1L3MBTL1MAPK1CA12
SCHEMBL454111 0.77 CA1 (0.81) HTTALDH1A1L3MBTL1MAPK1CA12
SCHEMBL4798025 0.76 MAPT (0.49) HTTALDH1A1L3MBTL1MAPK1TSHR
SCHEMBL4798017 0.76 ALDH1A1 (0.44) HTTALDH1A1L3MBTL1MAPK1CA12

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
US-6124323-A ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS WARNER-LAMBERT COMPANY (US) 2000-09-26 US disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed
US-4411904-A Diphenylpropanamines, compositions thereof and use thereof WARNER-LAMBERT COMPANY (US) 1983-10-25 US disclosed
US-4364954-A NEUROLEPTIC AGENT WARNER-LAMBERT COMPANY (US) 1982-12-21 US disclosed
US-4292321-A 1,3,8-Triazaspirodecane-4-ones, pharmaceutical compositions thereof and method of use thereof WARNER-LAMBERT COMPANY (US) 1981-09-29 US disclosed