SCHEMBL30122294

SCHEMBL30122294

COc1ccnc2[nH]cc(CCN3CCN(C(=O)c4ccccc4)CC3)c12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.56
DRD2 P14416 4/20 0.49
DRD3 P35462 3/20 0.49
HTR2A P28223 2/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP2C9 P11712 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
KCNA5 P22460 3/20 0.46
TP53 P04637 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL28168044 0.84 CYP2C9 (0.68) CYP2D6DRD2DRD3HTR2AKDM4E
SCHEMBL10267443 0.79 CYP2D6 (0.77) CYP2D6KDM4EALDH1A1HTTMEN1
SCHEMBL27637811 0.73 LMNA (0.52) DRD2HTR2AKDM4EALDH1A1MEN1
SCHEMBL1288198 0.72 CYP2D6 (1.00) CYP2D6HTTKCNH2CYP2C9
SCHEMBL1287941 0.72 CYP2D6 (1.00) CYP2D6HTTKCNH2CYP2C9
SCHEMBL6436835 0.72 CYP2D6 (1.00) CYP2D6HTTKCNH2CYP2C9
SCHEMBL1688350 0.71 CYP2D6 (0.82) CYP2D6ALDH1A1KCNH2CYP2C9
SCHEMBL27618693 0.69 MEN1 (0.46) DRD2DRD3HTR2AKDM4EALDH1A1
SCHEMBL25249413 0.69 CCNT1 (0.49) HTR2A
SCHEMBL30566002 0.69 CCNT1 (0.49) HTR2A

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-20230310573-A1 Stabilized Vaccine Compositions JANSSEN VACCINES AND PREVENTION B.V. (NL) 2023-10-05 US disclosed
EP-4126023-A1 STABILIZED VACCINE COMPOSITIONS Janssen Vaccines & Prevention B.V. (NL) 2023-02-08 EP disclosed