SCHEMBL7672170

SCHEMBL7672170

NCC(CCOC1CCCCO1)c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
KDM4C Q9H3R0 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RX3 P56373 3/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL7669964 0.84 MEN1 (0.39) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL5858706 0.84 SLC6A3 (0.42) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL8971716 0.82 L3MBTL1 (0.38) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL7674634 0.81 L3MBTL1 (0.40) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL8364709 0.78 MEN1 (0.40) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL7305306 0.77 SLC6A3 (0.41) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL8368093 0.77 TACR2 (0.44)
SCHEMBL4263016 0.76 L3MBTL1 (0.45) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL30076909 0.73 L3MBTL1 (0.52) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL6579345 0.72 SLC6A3 (0.45) L3MBTL1KDM4CNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403601-B1 TREATMENT OF ASTHMA, ANXIETY, DEPRESSION, EMESIS, URINARY INCONTINENCE AND RELATED CONDITIONS. ASTRAZENECA AB (SE) 2002-06-11 US disclosed
US-6365602-B1 FOR THERAPY OF DEPRESSION, ANXIETY, ASTHMA, PAIN, INFLAMMATION, URINARY INCONTINENCE AND OTHER DISEASE CONDITIONS ASTRA ZENECA AB (SE) 2002-04-02 US disclosed
EP-1137637-A1 N-(2-PHENYL-4-PIPERIDINYLBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-10-04 EP disclosed
EP-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 EP disclosed
WO-2000034243-A1 N-(2-PHENYL-4-PIPERIDINYBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-06-15 WO disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed
US-5965580-A TREATMENT OF SUBSTANCE P- AND NEUROKININ-DEPENDENT DISORDERS SANOFI (FR) 1999-10-12 US disclosed
US-5939411-A PIPERIDINE DERIVATIVES SUBSTITUTED AT POSITION 4 WITH NEW FUNCTIONS OTHER THAN THOSE DESCRIBED PREVIOUSLY HAVE A HIGH AFFINITY FOR NEUROKININ RECEPTORS AND ARE USEFUL FOR TREATMENT OF SUBSTANCE P AND NEUROKININ DEPENDENT PATHOLOGIES SANOFI (FR) 1999-08-17 US disclosed
US-5830906-A Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them SANOFI (FR) 1998-11-03 US disclosed
EP-0700382-A1 NOVEL N-ARYLALIPHATIC-N-ALKYL-FUNCTIONALISED AMIDES, METHOD FOR THEIR PREPATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-03-13 EP disclosed
WO-1995026335-A1 NOVEL N-ARYLALIPHATIC-N-ALKYL-FUNCTIONALISED AMIDES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1995-10-05 WO disclosed