SCHEMBL11038775

SCHEMBL11038775

CCCCCCCCCCCCCCC=CCC1=NC(CCN)CN1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SOAT1 P35610 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A5 Q9Y345 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL3450323 0.90 EPHX2 (0.36) FAAHTRPV1MEN1TP53CYP1A2
SCHEMBL10337038 0.90 FAAH (0.36) FAAHTRPV1MEN1TP53CYP1A2
SCHEMBL872170 0.86 CNR2 (0.35) FAAHTRPV1MEN1TP53CYP1A2
SCHEMBL10883098 0.83 HTR2A (0.36) MEN1KMT2AALDH1A1TSHR
SCHEMBL8404962 0.83 HTR2A (0.36) MEN1KMT2AALDH1A1TSHR
SCHEMBL7778401 0.83 HTR2A (0.36) MEN1KMT2AALDH1A1TSHR
SCHEMBL11640985 0.83 HTR2A (0.36) MEN1KMT2AALDH1A1TSHR
SCHEMBL7778407 0.81 CCR5 (0.32) CYP2C19
SCHEMBL8022160 0.78 EPHX2 (0.35) FAAHTRPV1MEN1TP53CYP1A2
SCHEMBL9098243 0.77 EPHX2 (0.38) FAAHTRPV1CYP1A2CYP2C19EPHX2

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-0102351-A1 HYDRAULIC FLUID COMPOSITIONS GLOBAL MARINE INC. (US) 1984-03-14 EP disclosed
WO-1983003256-A1 HYDRAULIC FLUID COMPOSITIONS MOSIER, BENJAMIN 1983-09-29 WO disclosed