SCHEMBL8010171

SCHEMBL8010171

CC(NCc1cccnc1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.57
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL30336917 0.82 CYP3A4 (0.53) CYP3A4NAMPTPOLBRAB9A
SCHEMBL11825264 0.81 POLB (0.50) CYP3A4NAMPTALDH1A1LMNAMAPT
SCHEMBL11825259 0.81 POLB (0.50) CYP3A4NAMPTALDH1A1LMNAMAPT
SCHEMBL479925 0.81 CYP3A4 (0.72) CYP3A4NAMPTALDH1A1LMNAMAPT
SCHEMBL23607288 0.81 CYP3A4 (0.53) CYP3A4NAMPTLMNA
SCHEMBL8897259 0.81 ALDH1A1 (0.63) CYP3A4ALDH1A1LMNAHTTPKM
SCHEMBL23607289 0.81 CYP3A4 (0.53) CYP3A4NAMPTLMNA
SCHEMBL9411102 0.81 CYP3A4 (0.53) CYP3A4NAMPTALDH1A1LMNAMAPT
SCHEMBL21591549 0.80 LMNA (0.56) CYP3A4NAMPTLMNARAB9A
SCHEMBL9439389 0.79 CYP3A4 (0.59) CYP3A4NAMPTALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057318-A ANTAGONISTS OF PLATELET ACTIVATING FACTOR ACETHER SANOFI (FR) 2000-05-02 US disclosed
US-5891894-A 2-AMINO OXAZOLE DERIVATIVES; ANTAGONISTS OF PLATELET ACTIVATING FACTOR USEFUL IN TREATMENT OF ASTHMA, INFLAMMATION, CARDIOVASCULAR DISORDERS, RENAL DISEASES, OR AS CONTRACEPTIVES SANOFI (FR) 1999-04-06 US disclosed
US-5891893-A 5-AMINO-1,2,4-OXA(OR THIA)DIAZOLES; ANTAGONISTS OF PLATELET ACTIVATING FACTOR USEFUL IN TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION, CARDIOVASCULAR DISEASES, RENAL DISEASES, OR AS CONTRACEPTIVES SANOFI (FR) 1999-04-06 US disclosed
US-5780468-A ANTAGONIST OF PLATELET ACTIVATING FACTOR SANOFI (FR) 1998-07-14 US disclosed
US-5470855-A Anticoagulants SANOFI (FR) 1995-11-28 US disclosed