SCHEMBL31466211

SCHEMBL31466211

Cc1cc(N2CCCNCC2)nn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 3/20 0.48
CACNA2D2 Q9NY47 3/20 0.48
MCHR1 Q99705 3/20 0.47
HTR2C P28335 2/20 0.46
PIM1 P11309 1/20 0.44
SCN4A P35499 1/20 0.42
SCN9A Q15858 1/20 0.42
CHRNB2 P17787 5/20 0.42
CHRNA4 P43681 5/20 0.42
ABL1 P00519 1/20 0.41
KHK P50053 1/20 0.39
HTR3A P46098 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GALR2 O43603 1/20 0.38
HTR1A P08908 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
SCHEMBL31466041 0.95 PIM1 (0.47) CACNA2D1CACNA2D2MCHR1HTR2CPIM1
Hydrochloric Acid SCHEMBL31466551 0.94 PIM1 (0.46) CACNA2D1CACNA2D2MCHR1HTR2CPIM1
SCHEMBL31466168 0.86 MCHR1 (0.45) CACNA2D1CACNA2D2MCHR1HTR2CPIM1
SCHEMBL31465938 0.84 PIM1 (0.52) CACNA2D1CACNA2D2PIM1SCN4ASCN9A
SCHEMBL31466489 0.84 PIM1 (0.61) HTR2CPIM1SCN4ASCN9AHTR3A
SCHEMBL31465901 0.83 KHK (0.47) CACNA2D1CACNA2D2MCHR1PIM1SCN4A
SCHEMBL31466449 0.82 PIM1 (0.44) CACNA2D1CACNA2D2PIM1SCN4ASCN9A
SCHEMBL31465847 0.81 CNR1 (0.48) CACNA2D1CACNA2D2MCHR1HTR2CPIM1
SCHEMBL31466055 0.81 CACNA2D1 (0.45) CACNA2D1CACNA2D2MCHR1HTR2C
SCHEMBL31466148 0.80 ADRB1 (0.60) HTR2CPIM1CHRNB2CHRNA4KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049419-A1 PYRAZOLYL COMPOUNDS AS EMOPAMIL BINDING PROTEIN INHIBITORS GENZYME CORPORATION (US) 2025-03-06 WO disclosed