SCHEMBL7963190

SCHEMBL7963190

Cc1ccc2cc(C3=CCN(Cc4ccccc4)CC3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
DRD4 P21917 9/20 0.52
DRD2 P14416 6/20 0.52
SIGMAR1 Q99720 2/20 0.50
DRD3 P35462 6/20 0.49
HDAC4 P56524 1/20 0.49
NAMPT P43490 1/20 0.49
HTR6 P50406 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTR1A P08908 2/20 0.47

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
SCHEMBL6042349 0.91 SIGMAR1 (0.59) MEN1KMT2ADRD4DRD2SIGMAR1
SCHEMBL2395803 0.88 LMNA (0.60) MEN1KMT2ADRD4DRD2SIGMAR1
SCHEMBL7969931 0.86 MEN1 (0.65) MEN1KMT2ADRD4DRD2SIGMAR1
SCHEMBL7964854 0.86 GAA (0.52) MEN1KMT2ADRD4DRD2SIGMAR1
SCHEMBL6264412 0.82 HTR1A (0.57) MEN1KMT2ADRD4DRD2SIGMAR1
SCHEMBL6585625 0.82 DRD4 (0.63) MEN1KMT2ADRD4DRD2SIGMAR1
SCHEMBL2395932 0.82 DRD4 (0.67) DRD4DRD2SIGMAR1DRD3HDAC4
SCHEMBL11437532 0.82 DRD2 (0.55) DRD4DRD2SIGMAR1DRD3HTR6
SCHEMBL238334 0.80 MEN1 (0.66) MEN1KMT2ADRD4DRD2SIGMAR1
SCHEMBL7970649 0.79 MEN1 (0.48) MEN1KMT2ADRD4DRD2SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed