SCHEMBL14625641

SCHEMBL14625641

CCS(=O)(=O)N1CCN(C(=O)CCCCCCCc2c(-c3ccccc3)[nH]c3c2-c2c(C(F)(F)F)cc(=O)[nH]c2CC3)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
TACR1 P25103 4/20 0.35
POLB P06746 1/20 0.34
CNR1 P21554 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TIPARP Q7Z3E1 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4183677 0.84 TACR1 (0.40) GAALMNATSHRTACR1TP53
SCHEMBL4179242 0.72 PDE3B (0.41) GAATACR1PDE3BPDE3AALDH1A1
SCHEMBL4169497 0.70 AR (0.38) GAALMNATSHRTACR1POLB
SCHEMBL4169501 0.70 AR (0.38) GAALMNATSHRTACR1POLB
SCHEMBL4182274 0.61 AR (0.41) TSHRMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL10722317 0.58 GAA (0.62) GAALMNAALDH1A1KMT2A
SCHEMBL9565826 0.58 LMNA (0.55) LMNATSHRMAPTALDH1A1KMT2A
SCHEMBL23537676 0.56 AR (0.40)
SCHEMBL10008214 0.56 GAA (1.00) GAALMNATSHRPOLBALDH1A1
SCHEMBL11932402 0.55 GAA (0.85) GAALMNAPOLBALDH1A1SMN1; SMN2

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-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 WO disclosed