SCHEMBL28703151

SCHEMBL28703151

O=C(C1CCCN1c1ccccc1)C1CCCN1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
BACE1 P56817 3/20 0.45
PORCN Q9H237 2/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
NOTUM Q6P988 1/20 0.42
ELANE P08246 2/20 0.41

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
SCHEMBL28321864 1.00 FFAR1 (0.46) FFAR1BACE1PORCNKMT2ASMN1; SMN2
SCHEMBL15664724 0.89 SMN1; SMN2 (0.51) FFAR1PORCNKMT2ASMN1; SMN2ALDH1A1
SCHEMBL630857 0.89 SMN1; SMN2 (0.51) FFAR1PORCNKMT2ASMN1; SMN2ALDH1A1
SCHEMBL432319 0.89 SMN1; SMN2 (0.51) FFAR1PORCNKMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL28132801 0.87 SMN1; SMN2 (0.50) FFAR1PORCNKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8349674 0.86 BACE1 (0.46) FFAR1BACE1PORCNKMT2ASMN1; SMN2
SCHEMBL2172636 0.86 ELANE (0.54) FFAR1BACE1PORCNELANE
SCHEMBL3347621 0.86 ELANE (0.54) FFAR1BACE1PORCNELANE
SCHEMBL15665470 0.86 ELANE (0.54) FFAR1BACE1PORCNELANE
SCHEMBL26246339 0.85 SCN9A (0.48) FFAR1BACE1PORCNKMT2AALDH1A1

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-109870572-B Methylene dioxy pyrrole pentanone detection test strip and application 杭州旭科生物技术有限公司 2022-03-01 CN disclosed
CN-103946299-B Rubber composition and pneumatic tire 住友橡胶工业株式会社 2018-10-09 CN disclosed
CN-103946302-B Rubber composition and pneumatic tire 住友橡胶工业株式会社 2018-05-15 CN disclosed