SCHEMBL8152134

SCHEMBL8152134

CC(=O)Nc1ccc(Br)c2c1CCN(C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
APEX1 P27695 1/20 0.38
MYC P01106 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL6785452 0.94 RXFP1 (0.44) RXFP1CA1CA2CA9ADRA2A
SCHEMBL6609264 0.88 RXFP1 (0.49) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL6790611 0.84 RXFP1 (0.43) RXFP1CA1CA2CA9MAPT
SCHEMBL6781068 0.83 RXFP1 (0.40) RXFP1ALDH1A1POLBACACB
SCHEMBL6781079 0.82 MAPT (0.42) RXFP1CA1CA2CA9MAPT
SCHEMBL6784074 0.82 KDM4E (0.42) APEX1MYCALDH1A1GRIA1GRIA2
SCHEMBL7983593 0.79 RXFP1 (0.43) RXFP1CA1CA2CA9MAPT
SCHEMBL6610930 0.79 NPC1 (0.40) APEX1ALDH1A1NPC1RAB9APOLB
SCHEMBL14287202 0.79 ALDH1A1 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8126976 0.79 GRIA1 (0.36) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781285-B1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE AS GLUTAMATE ANTAGONISTS NEUROSEARCH AS (DK) 2000-01-12 EP disclosed
US-5801174-A CEREBROVASCULAR DISORDERS NEUROSEARCH A/S (DK) 1998-09-01 US disclosed
EP-0664807-B1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER LAMBERT CO (US) 1997-09-10 EP disclosed