SCHEMBL4968271

SCHEMBL4968271

Fc1cc(N2CCN(N3CCC(c4ccc(Cl)c5cccnc45)CC3)CC2)c2ncccc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.47
SLC6A4 P31645 1/20 0.44
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
HSP90AA1 P07900 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BRD4 O60885 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36

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
SCHEMBL3557633 0.85 HTR1A (0.49) HTR1ASLC6A4
SCHEMBL3573288 0.78 HTR1A (0.41) HTR1ASLC6A4LMNAMAPT
SCHEMBL3557634 0.71 HTR1A (0.46) HTR1ASLC6A4MAPT
SCHEMBL3558251 0.70 HTR1A (0.72) HTR1ASLC6A4
SCHEMBL3558267 0.70 HTR1A (0.74) HTR1A
SCHEMBL4139409 0.69 HTR1A (0.55) HTR1ASLC6A4
SCHEMBL5822727 0.69 HTR1A (0.59) HTR1ASLC6A4
SCHEMBL4137022 0.69 HTR1A (0.59) HTR1ASLC6A4
SCHEMBL4156264 0.69 HTR1A (0.59) HTR1ASLC6A4
SCHEMBL4145398 0.69 HTR1A (0.55) HTR1ASLC6A4

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
EP-1888559-A2 PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR Wyeth a Corporation of the State of Delaware (US) 2008-02-20 EP disclosed
WO-2006135839-A2 PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR WYETH (US) 2006-12-21 WO disclosed