SCHEMBL14306236

SCHEMBL14306236

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.69
CNR1 P21554 1/20 0.67
CNR2 P34972 1/20 0.67
NAMPT P43490 1/20 0.66
KMT2A Q03164 2/20 0.66
EPHX2 P34913 2/20 0.64
RAB9A P51151 4/20 0.61
NPC1 O15118 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 1/20 0.61
MEN1 O00255 1/20 0.61
TRPV1 Q8NER1 3/20 0.60
HPGDS O60760 1/20 0.60
FAAH O00519 1/20 0.59
PRKAB2 O43741 1/20 0.59
PRKAG1 P54619 1/20 0.59
PRKAA2 P54646 1/20 0.59
PRKAA1 Q13131 1/20 0.59
PRKAG3 Q9UGI9 1/20 0.59
PRKAG2 Q9UGJ0 1/20 0.59

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
SCHEMBL6153200 0.98 KMT2A (0.69) MAPTCNR1CNR2NAMPTKMT2A
SCHEMBL4559682 0.97 MAPT (0.73) MAPTCNR1CNR2NAMPTKMT2A
SCHEMBL2097739 0.87 MAPT (0.59) MAPTCNR1CNR2NAMPTKMT2A
SCHEMBL10253402 0.87 CNR2 (0.88) MAPTCNR1CNR2NAMPTKMT2A
SCHEMBL3072567 0.87 MAPT (0.59) MAPTCNR1CNR2NAMPTKMT2A
SCHEMBL15134839 0.86 EPHX2 (0.69) MAPTCNR1CNR2NAMPTKMT2A
SCHEMBL655599 0.86 POLB (0.63) MAPTCNR1CNR2NAMPTTRPV1
SCHEMBL6764534 0.86 NAMPT (0.61) MAPTCNR1CNR2NAMPTEPHX2
SCHEMBL28363944 0.86 SMN1; SMN2 (0.70) MAPTCNR1CNR2NAMPTKMT2A
Hydrochloric Acid SCHEMBL23246046 0.84 POLB (0.66) MAPTCNR1CNR2NAMPTTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110878070-B Method for preparing asymmetric urea compound 中国科学院化学研究所 2021-08-31 CN disclosed
CN-110878070-A Method for preparing asymmetric urea compound 中国科学院化学研究所 2020-03-13 CN disclosed
WO-2008011392-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACUETICALS INCORPORATED (US) 2008-01-24 WO disclosed