SCHEMBL9873458

SCHEMBL9873458

CN(C)C(=O)CCCN1CCC(C(O)(c2ccc(F)cc2)c2ccccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
CYP2J2 P51589 8/20 0.48
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2B6 P20813 1/20 0.44
KMT2A Q03164 1/20 0.43
NPY2R P49146 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43

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
SCHEMBL9874473 0.98 MEN1 (0.51) MEN1CYP2J2KMT2ANPY2R
SCHEMBL9873147 0.97 MEN1 (0.51) MEN1CYP2J2KMT2ANPY2R
SCHEMBL9874355 0.87 CYP2J2 (0.61) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
SCHEMBL9874468 0.87 CYP2J2 (0.54) MEN1CYP2J2CYP3A4CYP2C9CYP2B6
SCHEMBL9873531 0.87 MEN1 (0.51) MEN1CYP2J2CYP3A4CYP2C9CYP2B6
SCHEMBL9872538 0.86 CYP2J2 (0.58) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
SCHEMBL9872366 0.86 CYP2J2 (0.51) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
SCHEMBL9873332 0.85 CYP2J2 (0.57) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
SCHEMBL9873499 0.85 CYP2J2 (0.50) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
SCHEMBL9874231 0.85 MEN1 (0.51) MEN1CYP2J2KMT2A

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
US-5057524-A Asthma, dermatitis A. H. ROBINS COMPANY INCORPORATED (US) 1991-10-15 US disclosed