SCHEMBL7157429

SCHEMBL7157429

COC(=O)C1(c2cccc(F)c2)CC2CCC(C1)N2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.46
GRM5 P41594 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KMT2A Q03164 1/20 0.40
ADAM17 P78536 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CCR2 P41597 1/20 0.39
KDM4E B2RXH2 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
KDM1A O60341 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3656139 0.84 ALDH1A1 (0.47) OPRK1GRM5SLC6A2SLC6A4SLC6A3
SCHEMBL1012743 0.84 SLC6A2 (0.48) OPRK1SLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL7464514 0.84 SLC6A2 (0.48) OPRK1SLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL7160342 0.81 ALDH1A1 (0.35) GRM5SLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL4591523 0.80 OPRM1 (0.47) SLC6A4SLC6A3ADAM17OPRM1OPRL1
SCHEMBL29924430 0.80 TSHR (0.49) OPRK1SLC6A4SLC6A3KMT2AADAM17
SCHEMBL29149857 0.80 TSHR (0.49) OPRK1SLC6A4SLC6A3KMT2AADAM17
SCHEMBL15956392 0.79 OPRM1 (0.46) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL4942383 0.77 TSHR (0.56) SLC6A2SLC6A4SLC6A3CHRM3KMT2A
SCHEMBL13887004 0.77 TSHR (0.42) OPRK1SLC6A4SLC6A3KMT2AADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6537522-B1 Metabolically stable cocaine analogs such as 2-carbometh-oxy-3-(4-iodophenyl)-tropane; chemical intermediates for compounds having high affinities for dopamine and serotonin reuptake sites in brain AMERSHAM PLC (GB) 2003-03-25 US disclosed
US-5750089-A Halogenated neuroprobe for mapping monoamine reuptake sites NEURO IMAGING TECHNOLOGIES, LLC (US) 1998-05-12 US disclosed
US-5698179-A Iodinated neuroprobe for mapping monoamine reuptake sites NEURO IMAGING TECHNOLOGIES, LLC (US) 1997-12-16 US disclosed
EP-0703791-A4 AN IODINATED NEUROPROBE FOR MAPPING MONOAMINE REUPTAKE SITES RES BIOMED LP (US) 1996-05-22 EP disclosed
EP-0703791-A1 AN IODINATED NEUROPROBE FOR MAPPING MONOAMINE REUPTAKE SITES RESEARCH BIOMEDICALS LIMITED PARTNERSHIP (US) 1996-04-03 EP disclosed
US-5439666-A Central nervous system RESEARCH BIOCHEMICALS LIMITED PARTNERSHIP (US) 1995-08-08 US disclosed
WO-1995001184-A1 AN IODINATED NEUROPROBE FOR MAPPING MONOAMINE REUPTAKE SITES RESEARCH BIOCHEMICALS LIMITED PARTNERSHIP (US) 1995-01-12 WO disclosed
US-5310912-A Ester-substituted nortropane RESEARCH BIOCHEMICALS LIMITED PARTNERSHIP (US) 1994-05-10 US disclosed