SCHEMBL8969626

SCHEMBL8969626

NC1c2cccc(F)c2N=C2CCCCCN21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
ACHE P22303 8/20 0.36
KLK7 P49862 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
NPC1 O15118 1/20 0.30
TSHR P16473 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8970334 0.76 NOS3 (0.42) NOS3NOS1NOS2ACHEKLK7
SCHEMBL8968355 0.73 NOS3 (0.42) NOS3NOS1NOS2ACHEKDM1A
SCHEMBL8968954 0.68 ACHE (0.70) ACHENPC1TSHRCASP3RAB9A
SCHEMBL9385531 0.68 ACHE (0.39) ACHEKLK7SMN1; SMN2
SCHEMBL9380688 0.68 ACHE (0.51) ACHEKLK7TSHRSMN1; SMN2
SCHEMBL9381689 0.67 ACHE (0.48) NOS3NOS1NOS2ACHE
SCHEMBL8968461 0.66 ACHE (0.68) ACHENPC1TSHRCASP3RAB9A
SCHEMBL9380862 0.63 ACHE (0.47) NOS1ACHEKLK7SMN1; SMN2
SCHEMBL9380285 0.63 ACHE (0.47) NOS3NOS1NOS2ACHE
SCHEMBL9382047 0.62 ACHE (0.36) ACHEKLK7SMN1; SMN2

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-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed