SCHEMBL4968460

SCHEMBL4968460

Fc1cc(F)cc(C2CCN(N3CCC(c4ccc(F)c(F)c4)CC3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.42
USP5 P45974 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ADRA1A P35348 6/20 0.38
SCD5 Q86SK9 1/20 0.37
USP30 Q70CQ3 1/20 0.36
ADRA1D P25100 5/20 0.36
ADRA1B P35368 5/20 0.36
QDPR P09417 1/20 0.36
GRM2 Q14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CCR1 P32246 1/20 0.34

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
SCHEMBL4968455 0.80 KDM1A (0.49) QDPRHTR2C
SCHEMBL808710 0.78 HTR2A (0.46) USP5HDAC6USP30QDPRHTR2A
SCHEMBL29389392 0.78 HTR2A (0.46) USP5HDAC6USP30QDPRHTR2A
SCHEMBL13085465 0.77 QDPR (0.59) USP5HDAC6ADRA1AQDPR
Ammonia Solution, Strong SCHEMBL2142374 0.76 HTR2A (0.44) USP5HDAC6USP30QDPRHTR2A
Hydrochloric Acid SCHEMBL27914628 0.74 HTR2A (0.47) USP5HDAC6SCD5USP30HTR2A
SCHEMBL12917832 0.74 GRIA4 (0.43) USP5HDAC6USP30HTR2AHTR2C
SCHEMBL14817246 0.73 ESR2 (0.53) CCR2USP5HDAC6ADRA1ASCD5
SCHEMBL127034 0.72 ACMSD (0.44) HTR2AHTR2CHTR2B
SCHEMBL17827776 0.72 HTR2A (0.42) USP5HDAC6SCD5USP30HTR2A

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-1963268-A1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION Neurosearch Sweden AB (SE) 2008-09-03 EP disclosed
WO-2007065655-A1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NEUROSEARCH SWEDEN AB (SE) 2007-06-14 WO disclosed