SCHEMBL9014658

SCHEMBL9014658

O=C(CC1CCCc2cc(Br)ccc21)N1CCN(c2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 6/20 0.40
KDM4E B2RXH2 1/20 0.40
STING1 Q86WV6 1/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4C Q9H3R0 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL9014731 0.89 MAPT (0.42) MEN1KMT2AMAPTKDM4EDRD2
SCHEMBL9014716 0.88 HTR1A (0.47) MEN1KMT2AMAPTKDM4EDRD2
SCHEMBL9015308 0.82 DRD2 (0.45) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL9466374 0.74 HTR1A (0.51) HTR1AMAPK1ALDH1A1
SCHEMBL9014718 0.70 DRD2 (0.45) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL17361614 0.70 FFAR1 (0.51)
SCHEMBL7401045 0.70 RAB9A (0.46) MEN1KMT2AMAPTDRD2HTR1A
SCHEMBL7403199 0.69 MAPT (0.51) MAPTDRD2DRD3HTR1AADRA2A
SCHEMBL7398102 0.69 HTR1D (0.44) MEN1KMT2AMAPTDRD2HTR1A
SCHEMBL7404888 0.69 AKR1C3 (0.46) MEN1KMT2AMAPTDRD2HTR1A

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-5495022-A Piperidines and piperazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-02-27 US disclosed
EP-0634398-A1 4-Phenylpiperidinyl-1/-piperazinyl-1-ethylsubstituted benzofusedheterocycles as antiarrhythmic agents MERCK PATENT GmbH (DE) 1995-01-18 EP disclosed