SCHEMBL8590055

SCHEMBL8590055

COC(=O)c1cc(-c2ccc3ccccc3c2)nn1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ TDP1 Q9NUW8 1/20 0.60
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALPL P05186 1/20 0.49
▸ PDE4A P27815 1/20 0.48
▸ PDE4B Q07343 1/20 0.48
▸ PDE4C Q08493 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ GCGR P47871 2/20 0.46
▸ GIPR P48546 1/20 0.46
▸ CFTR P13569 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ PIN1 Q13526 2/20 0.43
▸ TP53 P04637 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
SCHEMBL8589911 0.87 SMN1; SMN2 (0.54) MAPTSMN1; SMN2POLBTDP1MEN1
SCHEMBL8590389 0.85 SMN1; SMN2 (0.53) MAPTSMN1; SMN2POLBTDP1MEN1
SCHEMBL8890493 0.82 MAPT (0.74) MAPTSMN1; SMN2POLBTDP1MEN1
SCHEMBL8591725 0.80 MALT1 (0.55) MAPTSMN1; SMN2MEN1KMT2AALPL
SCHEMBL8592532 0.79 PIN1 (0.64) MAPTSMN1; SMN2POLBTDP1MEN1
SCHEMBL8592530 0.79 PIN1 (0.64) MAPTSMN1; SMN2POLBTDP1MEN1
SCHEMBL8430653 0.77 RAB9A (0.59) MAPTSMN1; SMN2POLBTDP1KMT2A
SCHEMBL20488594 0.77 SMN1; SMN2 (0.54) MAPTSMN1; SMN2POLBTDP1MEN1
SCHEMBL4911657 0.77 SMN1; SMN2 (0.54) MAPTSMN1; SMN2POLBTDP1MEN1
SCHEMBL13425922 0.77 MAPT (0.69) MAPTSMN1; SMN2POLBTDP1MEN1

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-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-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-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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