SCHEMBL6202951

SCHEMBL6202951

COc1ccc(C(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
ALDH1A1 P00352 2/20 0.68
HSD11B1 P28845 1/20 0.68
KMT2A Q03164 1/20 0.62
CYP2C19 P33261 2/20 0.61
TSHR P16473 1/20 0.61
CYP1A2 P05177 1/20 0.61
GAA P10253 1/20 0.61
CYP2C9 P11712 1/20 0.61
POLB P06746 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
SLC18A3 Q16572 4/20 0.60
DRD2 P14416 1/20 0.60
CYP2D6 P10635 1/20 0.60
GLA P06280 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.58

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
SCHEMBL9499649 0.90 SMN1; SMN2 (0.69) LMNASMN1; SMN2ALDH1A1HSD11B1KMT2A
Hydrochloric Acid SCHEMBL9502312 0.88 SMN1; SMN2 (0.67) LMNASMN1; SMN2ALDH1A1HSD11B1KMT2A
SCHEMBL9500292 0.85 ALDH1A1 (0.69) LMNASMN1; SMN2ALDH1A1HSD11B1KMT2A
Hydrochloric Acid SCHEMBL9501099 0.84 LMNA (0.68) LMNASMN1; SMN2HSD11B1KMT2ACYP1A2
SCHEMBL14637558 0.83 LMNA (0.68) LMNASMN1; SMN2ALDH1A1HSD11B1KMT2A
SCHEMBL28512371 0.82 LMNA (0.70) LMNASMN1; SMN2ALDH1A1HSD11B1KMT2A
SCHEMBL6201613 0.81 SMN1; SMN2 (0.61) LMNASMN1; SMN2ALDH1A1HSD11B1CYP2C19
SCHEMBL10726829 0.81 HSD11B1 (0.63) LMNASMN1; SMN2ALDH1A1HSD11B1KMT2A
SCHEMBL6210639 0.81 HSD11B1 (1.00) LMNASMN1; SMN2ALDH1A1HSD11B1CYP2C19
Hydrochloric Acid SCHEMBL9341757 0.81 MEN1 (0.54) LMNASMN1; SMN2ALDH1A1KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed