SCHEMBL31576867

SCHEMBL31576867

O=C(CCCCCC(F)CF)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MCHR1 Q99705 4/20 0.41
KCNQ2 O43526 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FFAR1 O14842 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SERPINE1 P05121 2/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 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
SCHEMBL31577098 1.00 MAPT (0.41) MAPTMCHR1KCNQ2SMN1; SMN2CYP1A2
SCHEMBL31577009 1.00 MAPT (0.41) MAPTMCHR1KCNQ2SMN1; SMN2CYP1A2
SCHEMBL31576992 0.99 MCHR1 (0.41) MAPTMCHR1KCNQ2SMN1; SMN2CYP1A2
SCHEMBL22299353 0.99 MCHR1 (0.41) MAPTMCHR1KCNQ2SMN1; SMN2CYP1A2
SCHEMBL31576849 0.99 MCHR1 (0.41) MAPTMCHR1KCNQ2SMN1; SMN2CYP1A2
SCHEMBL31577025 0.99 MAPT (0.42) MAPTMCHR1KCNQ2SMN1; SMN2CYP1A2
SCHEMBL31577076 0.99 MAPT (0.42) MAPTMCHR1KCNQ2SMN1; SMN2CYP1A2
SCHEMBL31577081 0.99 MAPT (0.42) MAPTMCHR1KCNQ2SMN1; SMN2CYP1A2
SCHEMBL22299352 0.98 MCHR1 (0.42) MAPTMCHR1KCNQ2SMN1; SMN2CYP1A2
SCHEMBL31577179 0.98 MCHR1 (0.42) MAPTMCHR1KCNQ2SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917907-B1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF UNIV DEGLI STUDI DI SALERNO (IT) 2025-05-21 EP claimed
EP-3917907-B1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF UNIV DEGLI STUDI DI SALERNO (IT) 2025-05-21 EP disclosed