SCHEMBL5263791

SCHEMBL5263791

CCOC(=O)[C@@H](N)Cc1c[nH]c2ccc(Br)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.64
GABRA1 P14867 1/20 0.55
GABRB1 P18505 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRB2 P47870 1/20 0.55
TACR1 P25103 2/20 0.55
HTR2A P28223 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
HTR1A P08908 2/20 0.52
MAPT P10636 2/20 0.52
TSHR P16473 2/20 0.52
HTR2C P28335 2/20 0.52
HTR2B P41595 2/20 0.52
BLM P54132 2/20 0.52
PMP22 Q01453 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52

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
SCHEMBL14116366 1.00 SCN9A (0.64) SCN9AGABRA1GABRB1GABRA3GABRB2
SCHEMBL3853949 1.00 SCN9A (0.64) SCN9AGABRA1GABRB1GABRA3GABRB2
Hydrochloric Acid SCHEMBL6300383 0.89 SCN9A (0.54) SCN9AGABRA1GABRB1GABRA3GABRB2
Hydrochloric Acid SCHEMBL6300382 0.89 SCN9A (0.54) SCN9AGABRA1GABRB1GABRA3GABRB2
SCHEMBL27659895 0.89 MTNR1A (0.54) SCN9AGABRA1GABRB1GABRA3GABRB2
SCHEMBL14066849 0.89 MTNR1A (0.54) SCN9AGABRA1GABRB1GABRA3GABRB2
SCHEMBL1197489 0.89 MTNR1A (0.54) SCN9AGABRA1GABRB1GABRA3GABRB2
Hydrochloric Acid SCHEMBL28558220 0.88 MTNR1A (0.53) SCN9AGABRA1GABRB1GABRA3GABRB2
Hydrochloric Acid SCHEMBL28173761 0.88 MTNR1A (0.53) SCN9AGABRA1GABRB1GABRA3GABRB2
SCHEMBL10407437 0.86 NPSR1 (0.70) SCN9ATACR1HTR2AKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101103000-B Carbazole, carboline and indole derivatives for inhibiting VEGF production PTC THERAPEUTICS INC 2012-06-27 CN disclosed
CN-101103000-A Carbazole, carboline and indole derivatives for inhibiting VEGF production PTC THERAPEUTICS INC (US) 2008-01-09 CN disclosed
EP-1824821-A2 CARBAZOLE, CARBOLINE AND INDOLE DERIVATIVES USEFUL IN THE INHIBITION OF VEGF PRODUCTION PTC Therapeutics, Inc. (US) 2007-08-29 EP disclosed
WO-2006058088-A2 CARBAZOLE, CARBOLINE AND INDOLE DERIVATIVES USEFUL IN THE INHIBITION OF VEGF PRODUCTION PTC THERAPEUTICS, INC. (US) 2006-06-01 WO disclosed