SCHEMBL11065117

SCHEMBL11065117

O=C(N1CCCC(c2cccc3[nH]ccc23)C1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.45
HPGDS O60760 1/20 0.43
HSD11B1 P28845 1/20 0.43
ADRA1A P35348 1/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MGLL Q99685 1/20 0.39
RBP4 P02753 1/20 0.39
GOT1 P17174 2/20 0.39
HTR1A P08908 1/20 0.39
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CREBBP Q92793 1/20 0.39
PROKR1 Q8TCW9 4/20 0.38

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
SCHEMBL11068236 0.79 HPGDS (0.43) BTKHPGDSMTNR1AMTNR1BPROKR1
SCHEMBL11226328 0.76 KDM4E (0.57) ADRA1AHTR1AKDM4E
SCHEMBL9671400 0.75 RBP4 (0.48) HPGDSRBP4PROKR1
SCHEMBL11226286 0.74 DRD2 (0.44) ADRA1AHTR1AKDM4E
SCHEMBL16446718 0.74 PROKR1 (0.54) HPGDSADRA1ARBP4PROKR1
SCHEMBL14027792 0.73 HTR1A (0.47) ADRA1AJAK2JAK1JAK3HTR1A
SCHEMBL11219877 0.72 DRD2 (0.52)
SCHEMBL8995183 0.72 HTR1A (0.48) ADRA1AJAK2JAK1TYK2JAK3
SCHEMBL10959130 0.71 JAK2 (0.56) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL9671327 0.71 HPGDS (0.44) HPGDSRBP4ALDH1A1PROKR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4435408-A Dopaminergic stimulating and antianoxic 4-substituted 2H-indole-2-ones ROUSSEL UCLAF (FR) 1984-03-06 US disclosed