SCHEMBL3960645

SCHEMBL3960645

O=C1NC2(CCCC2)C(=O)N1c1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.71
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
AR P10275 3/20 0.54
FPR2 P25090 6/20 0.50
AKR1B1 P15121 1/20 0.47
LMNA P02545 1/20 0.45
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
CNR1 P21554 2/20 0.41
ITGAL P20701 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3956206 0.98 POLB (0.73) POLBRAB9ANPC1ARFPR2
SCHEMBL240825 0.81 POLB (0.73) POLBRAB9ANPC1ARFPR2
SCHEMBL243978 0.80 POLB (0.57) POLBRAB9ANPC1ARFPR2
SCHEMBL13879418 0.79 POLB (0.66) POLBRAB9ANPC1ARFPR2
SCHEMBL31271900 0.79 POLB (0.47) POLBRAB9ANPC1ARFPR2
SCHEMBL11469297 0.79 AR (0.64) POLBRAB9ANPC1ARFPR2
SCHEMBL13879542 0.79 POLB (0.65) POLBRAB9ANPC1ARLMNA
SCHEMBL242108 0.78 POLB (0.72) POLBRAB9ANPC1ARAKR1B1
SCHEMBL242688 0.78 POLB (0.68) POLBRAB9ANPC1ARALDH1A1
SCHEMBL13879525 0.76 POLB (0.65) POLBRAB9ANPC1ARAKR1B1

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
WO-2009034062-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-19 WO disclosed
WO-2009034062-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-19 WO disclosed