SCHEMBL5803590

SCHEMBL5803590

COc1ccccc1C1CCN(Cc2cccc(C(=O)C3CNc4cc(N)ccc43)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.59
KMT2A Q03164 8/20 0.59
MAPK1 P28482 1/20 0.53
ATM Q13315 1/20 0.49
DRD4 P21917 2/20 0.49
DRD2 P14416 1/20 0.49
CHRM4 P08173 1/20 0.46
CCR8 P51685 2/20 0.45
CCR5 P51681 1/20 0.45
OPRM1 P35372 1/20 0.43
ACKR3 P25106 1/20 0.43

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
SCHEMBL5807479 0.92 MEN1 (0.53) MEN1KMT2AMAPK1ATMDRD4
SCHEMBL5803650 0.91 MEN1 (0.49) MEN1KMT2AMAPK1DRD2CCR5
SCHEMBL5805494 0.82 MEN1 (0.51) MEN1KMT2AMAPK1ATMDRD4
SCHEMBL5899201 0.77 MEN1 (0.63) MEN1KMT2AMAPK1ATMDRD4
SCHEMBL5805757 0.74 HTR1A (0.59) DRD2
SCHEMBL5807466 0.74 MAPK1 (0.62) MEN1KMT2AMAPK1ATMDRD4
SCHEMBL5803228 0.72 LMNA (0.49) MEN1KMT2AMAPK1ACKR3
SCHEMBL5818308 0.70 MEN1 (0.53) MEN1KMT2AMAPK1ATMCHRM4
SCHEMBL5823977 0.70 MEN1 (0.53) MEN1KMT2AMAPK1ATMDRD4
SCHEMBL12024283 0.70 MEN1 (0.58) MEN1KMT2ADRD4DRD2

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
WO-2006088954-A1 DIHYDROINDOLYL METHANONES AS ALPHA 1A/1D ADRENORECEPTOR MODULATORS FOR THE TREATMENT OF BENIGN PROSTATIC HYPERTROPHY AND LOWER URINARY TRACT SYMPTOMS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-24 WO disclosed