SCHEMBL9600780

SCHEMBL9600780

COc1ccc(CC(=O)N2CCCC(Cc3ccccc3)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.67
HPGD P15428 2/20 0.67
GAA P10253 1/20 0.67
ALDH1A1 P00352 5/20 0.67
LMNA P02545 1/20 0.67
RAB9A P51151 1/20 0.67
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
PAX8 Q06710 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
EED O75530 1/20 0.53
MAPT P10636 1/20 0.52
GPR183 P32249 1/20 0.52
CCR3 P51677 2/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL13152011 0.84 TACR3 (0.67) TACR3HPGDGAAALDH1A1LMNA
SCHEMBL18768532 0.82 GAA (0.67) HPGDGAAALDH1A1LMNARAB9A
SCHEMBL5359069 0.80 CCR3 (0.62) TACR3ALDH1A1LMNARAB9AMEN1
SCHEMBL5037841 0.78 TACR3 (0.64) TACR3HPGDGAAALDH1A1LMNA
SCHEMBL14263092 0.78 TACR3 (0.59) TACR3ALDH1A1MEN1KMT2ACCR3
SCHEMBL31324479 0.77 TACR3 (0.62) TACR3HPGDGAAALDH1A1LMNA
SCHEMBL2236750 0.76 SMN1; SMN2 (0.84) HPGDGAAALDH1A1LMNARAB9A
SCHEMBL7822101 0.76 L3MBTL1 (0.60) TACR3ALDH1A1RAB9AMEN1KMT2A
SCHEMBL8637987 0.76 EED (0.68) GAAALDH1A1LMNARAB9AMEN1
SCHEMBL7252710 0.75 CARM1 (0.60) MEN1KMT2ASIGMAR1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190958-A Fungicides SHELL RESEARCH LIMITED (GB) 1993-03-02 US disclosed
EP-0435387-A1 Piperidine derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-07-03 EP disclosed