SCHEMBL16601392

SCHEMBL16601392

CC(C)[CH]C(=O)N1CC2CC(CN(Cc3ccccc3)C2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.45
S1PR5 Q9H228 3/20 0.45
S1PR1 P21453 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR4 Q13639 1/20 0.43
FUCA1 P04066 2/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL1895069 0.82 CYP2D6 (0.54) HSD11B1S1PR5S1PR1MEN1KMT2A
SCHEMBL6318888 0.82 S1PR5 (0.53) HSD11B1S1PR5S1PR1MEN1KMT2A
SCHEMBL6733582 0.81 CYP3A4 (0.46) HSD11B1S1PR5S1PR1MEN1KMT2A
SCHEMBL2955795 0.78 FUCA1 (0.60) S1PR5S1PR1ALDH1A1FUCA1
SCHEMBL6732909 0.76 KDM4E (0.50) HSD11B1S1PR5S1PR1MEN1KMT2A
SCHEMBL9269370 0.76 KMT2A (0.48) S1PR5S1PR1MEN1KMT2AALDH1A1
SCHEMBL6737613 0.76 FAAH (0.66)
SCHEMBL584913 0.75 JAK2 (0.48) HSD11B1S1PR5S1PR1KMT2AL3MBTL1
SCHEMBL9520441 0.75 CYP2C9 (0.53) HSD11B1S1PR5S1PR1MEN1KMT2A
SCHEMBL9521948 0.75 ALDH1A1 (0.50) S1PR5S1PR1MEN1KMT2AALDH1A1

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
EP-3052498-A1 3,7-DIAZABICYCLO[3.3.1]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS Council of Scientific & Industrial Research (IN) 2016-08-10 EP claimed
WO-2015044951-A1 3,7-DIAZABICYCLO[3.3.1 ]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-04-02 WO claimed