SCHEMBL7833987

SCHEMBL7833987

[CH2]N(CCCN(C)C)CC(C)(C)CN(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
DNM1 Q05193 3/20 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
SCHEMBL915406 0.75 ALDH1A1 (0.53) ALDH1A1TSHRDNM1
SCHEMBL227850 0.72 CYP3A4 (0.34)
SCHEMBL6478043 0.69 ALDH1A1 (0.45) ALDH1A1TSHRDNM1
SCHEMBL1290871 0.66 ALDH1A1 (0.75) ALDH1A1TSHRDNM1
SCHEMBL212626 0.66
SCHEMBL2974832 0.65
Bromide SCHEMBL30558707 0.63 ALDH1A1 (0.69) ALDH1A1TSHRDNM1
SCHEMBL26135085 0.63 ALDH1A1 (0.69) ALDH1A1TSHRDNM1
SCHEMBL10790523 0.63 ALDH1A1 (0.83) ALDH1A1TSHRDNM1
Ammonia Solution, Strong SCHEMBL17238883 0.63 ALDH1A1 (0.69) ALDH1A1TSHRDNM1

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-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 EP claimed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 WO claimed