SCHEMBL8009779

SCHEMBL8009779

CC(N)NCc1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RECQL P46063 1/20 0.51
LTA4H P09960 1/20 0.50
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
CHRM2 P08172 1/20 0.49
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRNA7 P36544 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL104748 0.85 CYP1A2 (0.62) CYP1A2CYP2D6ALDH1A1NPSR1RECQL
SCHEMBL14019404 0.82 CYP1A2 (0.58) CYP1A2CYP2D6ALDH1A1NPSR1RECQL
SCHEMBL4051277 0.82 CYP1A2 (0.58) CYP1A2CYP2D6ALDH1A1NPSR1RECQL
SCHEMBL171029 0.81 CYP1A2 (0.56) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL6645277 0.81 CYP1A2 (0.56) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL10864606 0.79 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1NPSR1RECQL
SCHEMBL30729674 0.79 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1NPSR1RECQL
SCHEMBL9562328 0.79 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1NPSR1RECQL
SCHEMBL13995928 0.79 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1NPSR1RECQL
SCHEMBL8010098 0.79 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1NPSR1RECQL

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-6057318-A ANTAGONISTS OF PLATELET ACTIVATING FACTOR ACETHER SANOFI (FR) 2000-05-02 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-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-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
EP-0268915-A2 Trifluoromethylcarbonyl derivatives BAYER AG (DE) 1988-06-01 EP disclosed