SCHEMBL7333316

SCHEMBL7333316

CCC(=O)NC1CCc2c(N)cccc2C1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.67
MTNR1B P49286 10/20 0.67
CYP1A2 P05177 2/20 0.60
ALOX15 P16050 2/20 0.60
MAPT P10636 1/20 0.60
CYP2C9 P11712 1/20 0.60
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
ACHE P22303 2/20 0.51
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD4 P21917 2/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL7324893 0.83 MTNR1A (0.65) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL30089783 0.82 MTNR1A (0.84) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL2597485 0.82 MTNR1A (0.84) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL2351965 0.82 MTNR1A (0.84) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL7326549 0.81 MTNR1A (0.62) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL827706 0.80 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL2597383 0.80 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL4112887 0.80 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL7335952 0.79 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL7332696 0.79 DRD2 (0.66) CA1CA2ACHEDRD4DRD2

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-5213886-A Epoxy resin with fibrous substrates for electrical printed circuits GENERAL ELECTRIC COMPANY (US) 1993-05-25 US claimed
US-5196454-A METHOD OF TREATING DISORDERS OF THE DOPAMINERGIC SYSTEMS USING 2,5-DIAMINOTETRALINES BOEHRINGER INGELHEIM KG (DE) 1993-03-23 US disclosed
EP-0402923-A2 2,5-Diaminotetralines, process for their preparation and their use as medicine BOEHRINGER INGELHEIM KG (DE) 1990-12-19 EP disclosed