SCHEMBL3633900

SCHEMBL3633900

Fc1ccc(CNC2CCNCC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.48
MAOB P27338 1/20 0.48
CCNT1 O60563 2/20 0.45
POLB P06746 1/20 0.42
HTR6 P50406 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
CDK9 P50750 2/20 0.40
DPP4 P27487 2/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SOS1 Q07889 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
SSTR3 P32745 1/20 0.38

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
Carbamic Acid SCHEMBL7487538 0.89 DPP4 (0.44) KDM1AMAOBCCNT1POLBHTR6
SCHEMBL16250572 0.86 HRH3 (0.38) KDM1AMAOBCCNT1POLBHRH3
SCHEMBL16463547 0.86 SOS1 (0.39) KDM1AMAOBCCNT1POLBHTR6
SCHEMBL12448915 0.86 PRMT5 (0.49) CCNT1POLBHRH3CDK9PRMT5
SCHEMBL20767323 0.84 KDM1A (0.46) KDM1AMAOBCCNT1HTR6DPP4
SCHEMBL3633946 0.83 ALDH1A1 (0.39) KDM1AMAOBPOLBHRH3DPP4
SCHEMBL3355681 0.81 BCHE (0.54) KDM1AMAOBPOLBHRH3MEN1
SCHEMBL375105 0.81 KDM1A (0.48) KDM1APOLBHRH3MEN1RAB9A
SCHEMBL16465008 0.81 POLB (0.45) KDM1APOLBHTR6HRH3MEN1
SCHEMBL16463498 0.81 POLB (0.45) KDM1AMAOBPOLBHTR6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148879-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-02-03 EP disclosed
WO-2008128996-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 WO disclosed
EP-1299357-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2001098273-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-27 WO disclosed