SCHEMBL7813133

SCHEMBL7813133

O=C(OCc1ccccc1)N(CCO)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PTGDR2 Q9Y5Y4 2/20 0.45
▸ CCR5 P51681 5/20 0.45
▸ CCR6 P51684 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ AGER Q15109 3/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43

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
SCHEMBL32691106 0.94 CCR6 (0.46) ENPP2SIGMAR1L3MBTL1PTGDR2CCR5
SCHEMBL13641301 0.88 SIGMAR1 (0.46) ENPP2SIGMAR1PTGDR2CCR5CCR6
SCHEMBL30802298 0.88 SLC6A2 (0.45) CCR5CCR6PAX8TSHRCHRM3
SCHEMBL10325504 0.88 SIGMAR1 (0.46) ENPP2SIGMAR1PTGDR2CCR5CCR6
SCHEMBL28523905 0.87 ENPP2 (0.51) ENPP2SIGMAR1L3MBTL1PTGDR2CCR5
SCHEMBL30802466 0.87 SMN1; SMN2 (0.49) SIGMAR1CCR5CYP2C19CHRM2CHRM5
SCHEMBL7801189 0.84 ENPP2 (0.55) ENPP2SIGMAR1L3MBTL1PTGDR2CCR5
SCHEMBL27757526 0.84 ENPP2 (0.52) ENPP2SIGMAR1L3MBTL1PTGDR2CCR5
SCHEMBL29068551 0.84 ENPP2 (0.52) ENPP2SIGMAR1L3MBTL1PTGDR2CCR5
SCHEMBL22285161 0.83 ENPP2 (0.57) ENPP2SIGMAR1L3MBTL1PTGDR2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721449-B1 INHIBITORS OF BETA-AMYLOID PROTEIN PRODUCTION MERRELL PHARMA INC (US) 2001-12-19 — — EP disclosed
US-5977074-A THERAPY FOR ALZHEIMER'S DISEASE MERRELL PHARMACEUTICALS, INC. (US) 1999-11-02 — — US disclosed
EP-0721449-A1 INHIBITORS OF $g(b)-AMYLOID PROTEIN PRODUCTION MERRELL PHARMACEUTICALS INC. (US) 1996-07-17 — — EP disclosed
WO-1995009838-A1 INHIBITORS OF β-AMYLOID PROTEIN PRODUCTION MERRELL PHARMACEUTICALS INC. (US) 1995-04-13 — — WO disclosed
Send feedback