SCHEMBL9727040

SCHEMBL9727040

O=C1N(C(c2ccccc2)c2ccccc2)CCCC12CCCN(C(c1ccccc1)c1ccccc1)C2=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2D6 P10635 9/20 0.41
CYP3A4 P08684 8/20 0.41
USP2 O75604 6/20 0.41
CYP1A2 P05177 4/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
OPRM1 P35372 8/20 0.41
OPRD1 P41143 8/20 0.41
OPRK1 P41145 8/20 0.41
OPRL1 P41146 8/20 0.41
CYP2C9 P11712 5/20 0.40
TSHR P16473 4/20 0.40
CYP2C19 P33261 4/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9726950 0.85 GRIN1 (0.43) MEN1KMT2ACYP2D6CYP3A4USP2
SCHEMBL13483585 0.69 HSD11B1 (0.44) KMT2ACYP2D6OPRM1OPRD1OPRK1
SCHEMBL6580284 0.68 CYP3A4 (0.47) MEN1KMT2ACYP2D6CYP3A4OPRM1
SCHEMBL17360649 0.67 KMT2A (0.41) MEN1KMT2ACYP2D6ALOX15OPRM1
SCHEMBL5563143 0.66 KMT2A (0.48) MEN1KMT2ACYP2D6CYP3A4USP2
SCHEMBL5597469 0.66 RAB9A (0.43) MEN1KMT2ACYP2D6CYP3A4USP2
SCHEMBL9726979 0.66 KMT2A (1.00) MEN1KMT2ACYP2D6CYP3A4OPRM1
SCHEMBL769875 0.64 HSD11B1 (0.46) KMT2ACYP2D6OPRM1OPRD1OPRK1
SCHEMBL373948 0.64 HSD11B1 (0.46) KMT2ACYP2D6OPRM1OPRD1OPRK1
SCHEMBL19347151 0.64 KMT2A (0.46) MEN1KMT2ACYP2D6CYP3A4USP2

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-5128466-A For monitoring lithium levels in patients receiving lithium treatment for depression THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1992-07-07 US disclosed