SCHEMBL8591001

SCHEMBL8591001

O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 2/20 0.55
▸ CACNA1H O95180 2/20 0.55
▸ PIN1 Q13526 2/20 0.50
▸ MDM2 Q00987 5/20 0.47
▸ MME P08473 2/20 0.47
▸ ACE P12821 1/20 0.47
▸ CPA1 P15085 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ RPA1 P27694 1/20 0.47
▸ MALT1 Q9UDY8 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ FAAH O00519 1/20 0.46
▸ MCL1 Q07820 4/20 0.44
▸ BCL2 P10415 3/20 0.44
▸ PPP1CA P62136 1/20 0.44

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
SCHEMBL8591003 1.00 CACNA1G (0.55) CACNA1GCACNA1HPIN1MDM2MME
SCHEMBL8301692 0.88 CACNA1G (0.49) CACNA1GCACNA1HPIN1MDM2RPA1
SCHEMBL8593794 0.88 CACNA1G (0.49) CACNA1GCACNA1HPIN1MDM2RPA1
SCHEMBL8296252 0.81 CACNA1G (0.46) CACNA1GCACNA1HPIN1MDM2RPA1
SCHEMBL8296254 0.81 CACNA1G (0.46) CACNA1GCACNA1HPIN1MDM2RPA1
SCHEMBL8591058 0.77 RPA1 (0.73) MDM2RPA1MEN1KMT2AMCL1
SCHEMBL8297233 0.76 MDM2 (0.46) CACNA1GCACNA1HMDM2MALT1MEN1
SCHEMBL8590028 0.75 PPP1CA (0.59) CACNA1GCACNA1HMDM2RPA1MALT1
SCHEMBL8592530 0.74 PIN1 (0.64) PIN1MMEACECPA1ACE2
SCHEMBL8592532 0.74 PIN1 (0.64) PIN1MMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744491-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 — — US disclosed
US-5744493-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 — — US disclosed
US-5635526-A POSSESSES ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM OR THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1997-06-03 — — US disclosed
US-5616592-A USEFUL FOR DISORDERS OF CARDIOVASCULAR, GASTROINTESTINAL AND PSYCHOLOGICAL DISORDERS SANOFI (FR) 1997-04-01 — — US disclosed
US-5607958-A NEUROTENSIN RECEPTOR BINDERS SANOFI (FR) 1997-03-04 — — US disclosed
US-5420141-A Capable of binding to neurotensin receptor SANOFI (FR) 1995-05-30 — — US disclosed
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