SCHEMBL1126594

SCHEMBL1126594

COCCc1[nH]ccc1CC(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
NR3C1 P04150 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
CYP2D6 P10635 1/20 0.30
ADRA1A P35348 1/20 0.30
CYP2J2 P51589 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL15534264 0.67 GABRA1 (0.40) GABRA1GABRB2
SCHEMBL1126653 0.67 ALOX5AP (0.36) ADRA1A
SCHEMBL8603942 0.66 NR3C1 (0.44) NR3C1ADRB2ADRB1CYP2D6ADRA1A
SCHEMBL31369337 0.66 GABRA1 (0.39) GABRA1GABRB2ADRB1
SCHEMBL12701600 0.66 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL1126685 0.65 ALDH1A1 (0.46) PDE4D
SCHEMBL3959146 0.64 LMNA (0.41)
SCHEMBL6139412 0.63 ADRA1A (0.32) ADRA1A
SCHEMBL8207936 0.63 ADRA1A (0.32) ADRA1A
SCHEMBL10960074 0.63 GABRA1 (0.36) GABRA1GABRB2

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
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed