SCHEMBL6923877

SCHEMBL6923877

CCCCCC1(N)CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.49
EBP Q15125 1/20 0.43
KDM1A O60341 3/20 0.41
MAOB P27338 1/20 0.40
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL30411876 0.98 SIGMAR1 (0.51) SIGMAR1EBPKDM1AMAOBLMNA
SCHEMBL27632864 0.95 SIGMAR1 (0.49) SIGMAR1EBPKDM1AMAOBLMNA
SCHEMBL10644129 0.91 SIGMAR1 (0.51) SIGMAR1EBPKDM1AMEN1KMT2A
SCHEMBL30192046 0.89 SIGMAR1 (0.53) SIGMAR1EBPKDM1AMEN1KMT2A
SCHEMBL9280563 0.88 SIGMAR1 (0.44) SIGMAR1EBPKDM1AMAOBMEN1
SCHEMBL7330436 0.88 SIGMAR1 (0.44) SIGMAR1EBPKDM1AMAOBMEN1
SCHEMBL7782450 0.80 SIGMAR1 (0.51) SIGMAR1EBPKDM1AMAOBLMNA
SCHEMBL17603661 0.80 KDM1A (0.44) SIGMAR1KDM1AMAOBMEN1KMT2A
SCHEMBL22175918 0.79 SIGMAR1 (0.50) SIGMAR1EBPKDM1ALMNA
SCHEMBL7788011 0.79 SIGMAR1 (0.54) SIGMAR1EBPKDM1AMAOBLMNA

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-6737547-B1 Compositions containing and methods of using N-acyl-1H-aminoindenes TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-05-18 US disclosed
WO-2000038673-A1 COMPOSITIONS CONTAINING AND METHODS OF USING N-ACYL-1H-AMINOINDENES TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2000-07-06 WO disclosed