SCHEMBL13745563

SCHEMBL13745563

CN1CCC(C(=O)NCc2ccc(F)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
TSHR P16473 1/20 0.67
LMNA P02545 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
CYP3A4 P08684 2/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65
MAPT P10636 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
TP53 P04637 2/20 0.63
KDM4E B2RXH2 2/20 0.61
POLB P06746 2/20 0.61
MEN1 O00255 1/20 0.61
GAA P10253 1/20 0.61
KMT2A Q03164 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ERCC1 P07992 1/20 0.59
ERCC4 Q92889 1/20 0.59
GLA P06280 1/20 0.59
SLC13A5 Q86YT5 1/20 0.59

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
SCHEMBL8372164 0.87 MEN1 (0.61) ALDH1A1TSHRLMNASMN1; SMN2CYP3A4
SCHEMBL12993901 0.87 ALDH1A1 (0.67) ALDH1A1TSHRLMNASMN1; SMN2CYP3A4
SCHEMBL13745754 0.86 ALDH1A1 (0.62) ALDH1A1POLBMEN1KMT2ASLC13A5
SCHEMBL13746186 0.85 NPSR1 (0.72) ALDH1A1TSHRMAPTPOLBNPSR1
SCHEMBL24422954 0.84 ALDH1A1 (0.58) ALDH1A1TSHRPOLBKMT2ANPSR1
SCHEMBL7844706 0.83 ALDH1A1 (0.63) ALDH1A1TSHRLMNASMN1; SMN2CYP3A4
SCHEMBL13745506 0.83 ALDH1A1 (0.70) ALDH1A1TSHRLMNASMN1; SMN2MAPT
SCHEMBL13746194 0.83 POLB (0.62) ALDH1A1LMNAMAPTTP53POLB
SCHEMBL1867735 0.83 NPSR1 (0.53) ALDH1A1TSHRLMNASMN1; SMN2CYP3A4
SCHEMBL13061265 0.83 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2CYP2C9CYP2C19

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-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed