SCHEMBL9876795

SCHEMBL9876795

Cc1occc1Cn1c([N]C2CCNCC2)nc2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.40
AKT1 P31749 1/20 0.34
HTR6 P50406 6/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2C P28335 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
BRD4 O60885 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
POLB P06746 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL9876975 0.81 NR4A2 (0.44) TP53AKT1BRD4POLB
SCHEMBL27321364 0.68 NOS2 (0.38) TP53NOS2PDE4BPOLBRXFP1
SCHEMBL9876847 0.67 KCNH2 (0.61) TP53HTR6HTR1AHTR2CHTR3A
SCHEMBL9876607 0.67 NR4A2 (0.44) TP53BRD4
SCHEMBL9879885 0.66 NOS2 (0.51) NOS1NOS2HTR3EHTR3BHTR3A
SCHEMBL9686523 0.64 TP53 (0.40) TP53HTR6HTR3EHTR3BHTR1A
SCHEMBL9537090 0.64 TP53 (0.44) TP53POLB
SCHEMBL9876634 0.63 NR4A2 (0.44) TP53BRD4PDE4BPDE4DPOLB
SCHEMBL9698202 0.63 NR4A2 (0.46) TP53POLB
SCHEMBL9535843 0.63 KCNH2 (0.54) TP53POLBRXFP1

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-5006527-A Antihistamines, antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-09 US disclosed