SCHEMBL3953274

SCHEMBL3953274

O=C(Cc1ccc(F)cc1)C1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 1/20 0.46
NMT1 P30419 1/20 0.46
F10 P00742 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
SLC6A4 P31645 4/20 0.44
TACR1 P25103 2/20 0.44
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR1A P08908 1/20 0.43
POLB P06746 2/20 0.42

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
Hydrochloric Acid SCHEMBL1475977 0.98 NMT2 (0.46) NMT2NMT1F10SMN1; SMN2SLC6A4
SCHEMBL9664669 0.88 GAA (0.47) SMN1; SMN2ALDH1A1POLB
SCHEMBL8499762 0.84 TACR1 (0.51) NMT2NMT1F10SLC6A4TACR1
SCHEMBL31693930 0.84 DPP4 (0.44) F10SMN1; SMN2ALDH1A1
SCHEMBL31202616 0.83 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1
SCHEMBL4189434 0.83 LMNA (0.50) POLB
SCHEMBL32667549 0.83 MEN1 (0.57) SMN1; SMN2SLC6A4SLC6A2ALDH1A1POLB
SCHEMBL1477277 0.83 GBA1 (0.50) ALDH1A1
SCHEMBL6469067 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1POLB
Hydrochloric Acid SCHEMBL8500162 0.83 TACR1 (0.50) F10SLC6A4TACR1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784401-A4 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD (CA) 2009-07-15 EP disclosed
EP-1784401-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2007-05-16 EP disclosed
WO-2006024160-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2006-03-09 WO disclosed
US-5116846-A N-ARALKYL PIPERIDINE DERIVATIVES AS PSYCHOTROPIC DRUGS DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-05-26 US disclosed
EP-0449186-A2 N-aralkyl piperidine derivatives as psychotropic drugs THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-10-02 EP disclosed