SCHEMBL1506433

SCHEMBL1506433

C[C@@H](NC(=O)CC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.80
SLC6A3 Q01959 2/20 0.80
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.59
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SIGMAR1 Q99720 2/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL1506434 1.00 SLC6A4 (0.80) SLC6A4SLC6A3POLBRAB9ACYP3A4
SCHEMBL2983151 0.79 SLC6A3 (0.79) SLC6A4SLC6A3
SCHEMBL1505936 0.78 MEN1 (0.69) SLC6A4SLC6A3SIGMAR1MEN1KMT2A
SCHEMBL1476523 0.77 SLC6A3 (0.65) SLC6A4SLC6A3
SCHEMBL24321061 0.75 MCHR1 (0.50) SLC6A4SLC6A3POLBRAB9A
SCHEMBL7381004 0.74 DRD2 (0.67) SIGMAR1
SCHEMBL9872315 0.74 ALDH1A1 (0.52) POLBMEN1KMT2A
Bromide SCHEMBL15157969 0.73 DRD2 (0.68) SIGMAR1
SCHEMBL2989347 0.73 SLC6A3 (0.66) SLC6A4SLC6A3
SCHEMBL10070618 0.72 KMT2A (0.62) SLC6A4SLC6A3SIGMAR1KMT2A

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-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