SCHEMBL3818596

SCHEMBL3818596

Fc1cc(F)cc(CNC2CCNCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
MAP4K4 O95819 3/20 0.40
NOS2 P35228 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
SOS1 Q07889 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
CCR3 P51677 1/20 0.38
CDK9 P50750 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL737354 0.87 MAP4K4 (0.47) ALDH1A1TSHRMAP4K4CARM1PRMT6
SCHEMBL3130160 0.86 TACR1 (0.44) ALDH1A1CARM1PRMT6
SCHEMBL3633946 0.84 ALDH1A1 (0.39) ALDH1A1TSHRSOS1DPP7KDM4E
SCHEMBL28469040 0.83 ALDH1A1 (0.51) ALDH1A1TSHRMAP4K4CARM1PRMT6
SCHEMBL20766500 0.83 SOS1 (0.43) CCNT1NOS2SOS1DPP7
SCHEMBL3355681 0.82 BCHE (0.54) CCR3POLB
SCHEMBL26269008 0.81 HRH3 (0.56) ALDH1A1TSHRMAP4K4KDM4EPOLB
SCHEMBL3633900 0.78 KDM1A (0.48) CCNT1SOS1DPP7CDK9POLB
SCHEMBL28742890 0.78 BCHE (0.50) CCR3POLB
SCHEMBL20766436 0.76 MAP4K4 (0.54) ALDH1A1TSHRMAP4K4CARM1PRMT6

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-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-2008068277-A1 PIPERIDINYLAMINO-PYRIDAZINES AND THEIR USE AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 EP disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 WO disclosed