SCHEMBL8967309

SCHEMBL8967309

COc1ccc(C2NCCCN2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.52
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 1/20 0.41
GID4 Q8IVV7 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAOA P21397 2/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL8967330 0.88 CHRNB2 (0.37) ADRA2C
SCHEMBL8967875 0.80 CYP1A2 (0.41) ALDH1A1TDP1HTR3EHTR3BHTR3A
SCHEMBL8967839 0.80 CHRNB4 (0.50) KDM4EALDH1A1HPGDALOX12TDP1
SCHEMBL251052 0.77 CHRNB2 (0.33) ADRA2C
SCHEMBL12090379 0.71 CHRNB2 (0.62)
SCHEMBL12090214 0.70 CHRNA7 (0.56)
SCHEMBL4470636 0.70 SMN1; SMN2 (0.50) KDM4EALDH1A1SMN1; SMN2DRD2SIGMAR1
SCHEMBL31494195 0.69 MEN1 (0.59) ADRA2CGID4MAOAKDM1AMAOB
SCHEMBL6181098 0.69 MEN1 (0.59) ADRA2CGID4MAOAKDM1AMAOB
SCHEMBL164122 0.69 MEN1 (0.59) ADRA2CGID4MAOAKDM1AMAOB

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-0489688-B1 Coupling agent CIBA GEIGY AG (CH) 1996-03-06 EP disclosed
EP-0489688-A1 Coupling agent CIBA-GEIGY AG (CH) 1992-06-10 EP disclosed