SCHEMBL1505936

SCHEMBL1505936

O=C(CC1CCN(Cc2ccc(F)cc2)CC1)NCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
SLC6A4 P31645 1/20 0.66
SLC6A3 Q01959 1/20 0.66
BCHE P06276 1/20 0.62
ACHE P22303 1/20 0.62
CCR3 P51677 3/20 0.61
EPHX2 P34913 1/20 0.60
SIGMAR1 Q99720 3/20 0.60
CHRM4 P08173 1/20 0.58
SLC6A12 P48065 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
MCHR1 Q99705 1/20 0.57
USP30 Q70CQ3 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL13569862 0.78 MEN1 (0.53) MEN1KMT2ASLC6A4SLC6A3CCR3
SCHEMBL4272846 0.78 MEN1 (0.53) MEN1KMT2ASLC6A4SLC6A3CCR3
SCHEMBL7381004 0.78 DRD2 (0.67) SIGMAR1
SCHEMBL1506433 0.78 SLC6A4 (0.80) MEN1KMT2ASLC6A4SLC6A3SIGMAR1
SCHEMBL1506434 0.78 SLC6A4 (0.80) MEN1KMT2ASLC6A4SLC6A3SIGMAR1
SCHEMBL9561754 0.78 SLC6A3 (0.63) SLC6A4SLC6A3BCHEACHE
SCHEMBL5281631 0.78 CHRM4 (0.67) BCHEACHECHRM4
Bromide SCHEMBL15157969 0.77 DRD2 (0.68) SIGMAR1
SCHEMBL6700782 0.77 CCR3 (0.73) MEN1KMT2ACCR3
SCHEMBL10070618 0.76 KMT2A (0.62) KMT2ASLC6A4SLC6A3BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291378-A2 N- AND O-SUBSTITUTED 4-Ý2-(DIPHENYLMETHOXY)-ETHYL¨-1-Ý(PHENYL)METHYL¨PIPERIDINE ANALOGS AND METHODS OF TREATING CNS DISORDERS THEREWITH WAYNE STATE UNIVERSITY (US) 2011-03-09 EP disclosed
WO-2009094428-A2 N- AND O-SUBSTITUTED 4-[2-(DIPHENYLMETHOXY)-ETHYL]-1-[(PHENYL)METHYL]PIPERIDINE ANALOGS AND METHODS OF TREATING CNS DISORDERS THEREWITH WAYNE STATE UNIVERSITY (US) 2009-07-30 WO disclosed
WO-2001098266-A2 N-AND O-SUBSTITUTED 4-[2-(DIPHENYLMETHOXY)-ETHYL]-1-[(PHENYL)METHYL]PIPERIDINE ANALOGS AND METHODS OF TREATING CNS DISORDERS THEREWITH WAYNE STATE UNIVERSITY (US) 2001-12-27 WO disclosed