SCHEMBL1953926

SCHEMBL1953926

S=C1CCCCN1C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NOS1 P29475 2/20 0.43
▸ NOS3 P29474 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SCN1A P35498 1/20 0.31
▸ SCN2A Q99250 1/20 0.31
▸ SCN3A Q9NY46 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31

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
SCHEMBL1952765 0.93 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C19NOS1NOS3
SCHEMBL6158943 0.83 NOS3 (0.36) CYP3A4CYP2D6CYP2C19NOS1NOS3
SCHEMBL4873514 0.81 HTR2C (0.45) CYP3A4CYP2D6CYP2C19NOS1NOS3
SCHEMBL8031217 0.76 NOS3 (0.42) CYP2D6NOS1NOS3ADORA3ADORA2A
SCHEMBL1954285 0.76 NOS3 (0.42) CYP2D6NOS1NOS3ADORA3ADORA2A
SCHEMBL867932 0.76 NOS3 (0.42) CYP2D6NOS1NOS3ADORA3ADORA2A
SCHEMBL10427141 0.76 NOS3 (0.42) CYP2D6NOS1NOS3ADORA3ADORA2A
SCHEMBL6088399 0.76 NOS3 (0.42) CYP2D6NOS1NOS3ADORA3ADORA2A
SCHEMBL868782 0.76 NOS3 (0.42) CYP2D6NOS1NOS3ADORA3ADORA2A
SCHEMBL33526075 0.76 NOS3 (0.42) CYP2D6NOS1NOS3ADORA3ADORA2A

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
EP-2719662-B1 Use of a polar aprotic solvent for the solubilisation of a graphite intercalation compound CENTRE NAT RECH SCIENT (FR) 2021-10-06 — — EP disclosed
EP-2176164-B1 Method for solubilising graphite CENTRE NATIONAL DE LA RECHERCHE SCIENT (C N R S ) (FR) 2017-12-27 — — EP disclosed
US-9120675-B2 Graphene solutions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2015-09-01 — — US disclosed
EP-2719662-A1 Graphene solutions Centre National de la Recherche Scientifique (CNRS) (FR) 2014-04-16 — — EP disclosed
US-20110130494-A1 GRAPHENE SOLUTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2011-06-02 — — US disclosed
EP-2176164-A2 GRAPHENE SOLUTIONS Centre National De La Recherche Scientifique-CNRS (FR) 2010-04-21 — — EP disclosed
WO-2009056696-A2 GRAPHENE SOLUTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2009-05-07 — — WO disclosed
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