SCHEMBL6611458

SCHEMBL6611458

O=C(CC1CCC1)c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.65
HTR2A P28223 2/20 0.65
HTR2C P28335 2/20 0.65
HTR2B P41595 2/20 0.65
SIGMAR1 Q99720 2/20 0.65
RAB9A P51151 2/20 0.50
PTPN1 P18031 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.50
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL14784803 0.95 DRD2 (0.63) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5469826 0.92 DRD2 (0.73) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL30958977 0.90 DRD2 (0.58) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL948505 0.84 DRD2 (0.60) DRD2HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL11098055 0.83 DRD2 (0.58) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9870657 0.82 KMT2A (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9870941 0.81 DRD2 (0.57) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9846889 0.80 PDE4A (0.48) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL6691292 0.79 PDE4A (0.50) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7358803 0.79 SIGMAR1 (1.00) DRD2HTR2AHTR2CHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200419-B1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI SYNTHELABO (FR) 2004-04-14 EP disclosed
US-6586456-B1 Corticotropin releasing factor (CRF) antagonists such as (4-(2-chloro-4-methoxy-5-methylphenyl)-5-methylthiazol-2-yl)(( (1-(3-fluoro-4-methylphenyl)-2-methoxyethyl))prop-2-ynylamine, prepared by alkylation with propagyl bromide SANOFI-SYNTHELABO (FR) 2003-07-01 US disclosed
EP-1200419-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2002-05-02 EP disclosed
WO-2001005776-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2001-01-25 WO disclosed
EP-0743938-B1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-04-21 EP disclosed
US-5736579-A ANTIARTHRITIC, ANTIPYRETIC AND ANALGESIC AGENTS G.D. SEARLE & CO. (US) 1998-04-07 US disclosed
EP-0743938-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-27 EP disclosed
WO-1995021817-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-08-17 WO disclosed
US-5393790-A Diphenyl- or phenyl/pyridyl-substituted spiroheptenes, -octenes,-nonenes or -decenes; cyclooxygenase II inhibitors; side effect reduction; antipyretics; antiarthritic agents G.D. SEARLE & CO. (US) 1995-02-28 US disclosed