SCHEMBL3130160

SCHEMBL3130160

Fc1cc(CNC2CCNCC2)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.44
MAPK1 P28482 1/20 0.41
SLC6A4 P31645 1/20 0.40
HTR2C P28335 2/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
EP300 Q09472 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
OPRL1 P41146 1/20 0.36

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
SCHEMBL3818596 0.86 CCNT1 (0.41) CARM1PRMT6ALDH1A1
SCHEMBL374621 0.83 MAP4K4 (0.46) TACR1CARM1PRMT6BCHEACHE
SCHEMBL3129249 0.83 CARM1 (0.39) TACR1CARM1PRMT6BCHEACHE
SCHEMBL3816081 0.80 CARM1 (0.59) MAPK1SLC6A4HTR2CCARM1PRMT6
SCHEMBL5274750 0.80 CARM1 (0.47) TACR1SLC6A4CARM1PRMT6BCHE
SCHEMBL24393407 0.79 BCHE (0.57) MAPK1SLC6A4HTR2CBCHEACHE
SCHEMBL25145972 0.78 CACNA1H (0.48) TACR1SLC6A4HTR2CCYP3A4
Methylene Chloride SCHEMBL27890329 0.77 CARM1 (0.56) MAPK1SLC6A4HTR2CCARM1PRMT6
SCHEMBL18640401 0.77 CARM1 (0.56) CARM1PRMT6BCHEACHEBACE1
SCHEMBL6066142 0.76 CARM1 (0.55) MAPK1SLC6A4HTR2CCARM1PRMT6

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
EP-2148872-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-02-03 EP disclosed
EP-2091938-A1 PIPERIDINYLAMINO-PYRIDAZINES AND THEIR USE AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-26 EP disclosed
WO-2008128994-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 WO disclosed
WO-2008068277-A1 PIPERIDINYLAMINO-PYRIDAZINES AND THEIR USE AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed