SCHEMBL8710951

SCHEMBL8710951

Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.50
HTR2A P28223 3/20 0.47
HTR2C P28335 2/20 0.47
HTR7 P34969 2/20 0.47
HTR6 P50406 2/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ACHE P22303 1/20 0.44

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
SCHEMBL8664405 0.93 PTGIR (0.50) HTR2AACHE
SCHEMBL8711319 0.90 SLC18A3 (0.49) SLC18A3HTR2AHTR2CHTR7HTR6
SCHEMBL8714728 0.89 SMN1; SMN2 (0.48) SLC18A3HTR2AHTR2CHTR7HTR6
SCHEMBL8710869 0.89 ACHE (0.56) HTR2AHTR2CHTR7HTR6KDM4E
Maleic Acid SCHEMBL8716551 0.89 PTGIR (0.46) HTR2AACHE
Fumaric Acid SCHEMBL8716555 0.89 PTGIR (0.46) HTR2AACHE
SCHEMBL8710844 0.89 SLC18A3 (0.48) SLC18A3HTR2AHTR2CHTR7HTR6
SCHEMBL8713817 0.88 MEN1 (0.49) SLC18A3HTR2AHTR2CHTR7HTR6
SCHEMBL8711236 0.88 SLC18A3 (0.47) SLC18A3HTR2AHTR2CHTR7HTR6
SCHEMBL8710852 0.88 HSD11B1 (0.51) SLC18A3HTR2AHTR2CHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed