SCHEMBL7968949

SCHEMBL7968949

COc1ccccc1C1CCN(C[C@@H](Cc2cccnc2)NC(=O)NC2CCCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
DRD4 P21917 3/20 0.45
HTR1A P08908 1/20 0.45
DRD3 P35462 1/20 0.45
C3AR1 Q16581 3/20 0.41
SIGMAR1 Q99720 1/20 0.41
CHRM4 P08173 1/20 0.41
DRD2 P14416 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL7968954 0.92 HTR1A (0.42) MEN1KMT2ADRD4HTR1ADRD3
SCHEMBL6177540 0.87 MEN1 (0.46) MEN1KMT2ADRD4HTR1ADRD3
SCHEMBL6176842 0.85 DRD4 (0.63) MEN1KMT2ADRD4HTR1ADRD3
SCHEMBL28746727 0.84 KMT2A (0.49) MEN1KMT2ADRD4HTR1ADRD3
SCHEMBL6180581 0.83 MEN1 (0.53) MEN1KMT2ADRD4CHRM4DRD2
Cyclohexane SCHEMBL6179896 0.80 MEN1 (0.57) MEN1KMT2ADRD4HTR1ACHRM4
SCHEMBL6178285 0.79 MEN1 (0.55) MEN1KMT2ADRD4HTR1ACHRM4
SCHEMBL6180578 0.79 MEN1 (0.50) MEN1KMT2ADRD4CHRM4DRD2
Cyclohexane SCHEMBL6178387 0.78 MEN1 (0.48) MEN1KMT2ADRD4HTR1ACHRM4
SCHEMBL6178420 0.78 HTR1A (0.54) MEN1KMT2AHTR1ACHRM4DRD2

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
US-6239126-B1 ANTAGONISTS OF THE 5HT1A RECEPTOR SUBTYPE. AMERICAN HOME PRODUCTS CORPORATION 2001-05-29 US claimed
US-6239126-B1 ANTAGONISTS OF THE 5HT1A RECEPTOR SUBTYPE. AMERICAN HOME PRODUCTS CORPORATION 2001-05-29 US disclosed