SCHEMBL9407229

SCHEMBL9407229

NC1(C(c2ccccc2)(c2ccccc2)c2ccccc2)C2CNCC21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34
SCN1A P35498 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
SSTR4 P31391 2/20 0.34
KCNN4 O15554 1/20 0.33
BPTF Q12830 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
SLC6A2 P23975 1/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
KDM1A O60341 2/20 0.32
MC4R P32245 1/20 0.32
GBA1 P04062 1/20 0.32
CHRM3 P20309 1/20 0.31

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
SCHEMBL9407228 0.70 KCNA4 (0.36) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL8766756 0.69 MAOA (0.48) SLC6A2MAOAMAOBKDM1AMC4R
SCHEMBL11475593 0.63 KMT2A (0.44) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL7867641 0.60 MC4R (0.49) MEN1KMT2AMC4RGBA1
Hydrochloric Acid SCHEMBL48897 0.59 SLC6A4 (0.41) MEN1LMNACYP2D6HRH1SCN1A
Hydrochloric Acid SCHEMBL7650165 0.59 KIF11 (0.38) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL11400588 0.58 CYP2D6 (0.38) MEN1LMNACYP2D6HRH1SCN1A
Diphenylmethane SCHEMBL7400899 0.56 CALM1 (0.57) LMNAHRH1SLC6A2MC4RGBA1
SCHEMBL1742163 0.56 GBA1 (0.63) SLC6A2MC4RGBA1
SCHEMBL25329264 0.56 CYP2B6 (0.42) MEN1LMNACYP2D6HRH1SCN1A

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-5298629-A Intermediates in the synthesis of quinoline antibiotics PFIZER INC. (US) 1994-03-29 US disclosed