SCHEMBL13353200

SCHEMBL13353200

COc1ccc(C(=O)N2CCC3(CC2)OCCN3C)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.68
▸ HPGD P15428 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ GRM3 Q14832 1/20 0.54
▸ USP2 O75604 5/20 0.54
▸ CYP3A4 P08684 5/20 0.54
▸ CYP2D6 P10635 5/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPK1 P28482 2/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ CYP1A2 P05177 2/20 0.51
▸ TSHR P16473 2/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ DRD3 P35462 1/20 0.50

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
SCHEMBL12655740 0.87 KDM4E (0.70) POLBHPGDKDM4EHTTGRM3
SCHEMBL12655726 0.81 L3MBTL1 (0.60) POLBHPGDKDM4EHTTSMN1; SMN2
SCHEMBL12626097 0.80 KDM4E (0.61) POLBHPGDKDM4EHTTGRM3
SCHEMBL17966169 0.80 POLB (0.72) POLBHPGDGRM3USP2CYP3A4
SCHEMBL12626102 0.77 POLB (0.68) POLBHPGDGRM3USP2CYP3A4
SCHEMBL20631562 0.77 HPGD (0.86) POLBHPGDKDM4EHTTALDH1A1
SCHEMBL9792247 0.76 HPGD (0.79) POLBHPGDKDM4EHTTSMN1; SMN2
SCHEMBL12626093 0.76 L3MBTL1 (0.54) POLBHPGDHTTUSP2SMN1; SMN2
SCHEMBL25495296 0.76 L3MBTL1 (0.54) POLBKDM4EHTTSMN1; SMN2
SCHEMBL10053023 0.74 HPGD (0.75) POLBHPGDALDH1A1TSHRDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010051476-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS, INC. (US) 2010-05-06 — — WO disclosed
Send feedback