SCHEMBL28126702

SCHEMBL28126702

O=CN1CCN(Cc2ccccc2)C(c2ccccc2)C1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
DRD2 P14416 6/20 0.39
DRD1 P21728 6/20 0.39
DRD3 P35462 6/20 0.39
RORC P51449 1/20 0.38
CCR3 P51677 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL28112011 0.82 ACHE (0.39) DRD2DRD3CCR3CA1CA2
SCHEMBL28099614 0.77 MEN1 (0.41) CCR3
SCHEMBL28979080 0.71 GRM6 (0.42) TP53MDM2CYP2C9CYP2C19CA1
SCHEMBL10345857 0.71 BRD4 (0.34) CCR3LMNACYP1A2CYP2C9CYP2C19
SCHEMBL27320542 0.69 ABCB1 (0.43) TP53MDM2DRD2DRD1DRD3
SCHEMBL27863385 0.68 CCR3 (0.39) CCR3
SCHEMBL28240236 0.68 TP53 (0.53) TP53MDM2DRD2DRD1DRD3
SCHEMBL27840206 0.68 SIGMAR1 (0.47) TP53MDM2DRD2DRD3RORC
SCHEMBL28063834 0.68 SIGMAR1 (0.49) CCR3CA1CA2CA4CA9
SCHEMBL17465591 0.67 TP53 (0.47) TP53MDM2DRD2DRD1DRD3

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
CN-106462009-A Image display device and alignment material used therefor DIC株式会社 2017-02-22 CN disclosed