SCHEMBL7867642

SCHEMBL7867642

CN1CC2C(C1)C2N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
AOC3 Q16853 1/20 0.38
MC4R P32245 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
DRD3 P35462 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL18484463 1.00 KMT2A (0.41) KMT2AMEN1RAB9AALDH1A1TSHR
SCHEMBL14820140 1.00 KMT2A (0.41) KMT2AMEN1RAB9AALDH1A1TSHR
SCHEMBL25730521 0.81 SLC6A2 (0.47) KMT2AMEN1RAB9AALDH1A1TSHR
SCHEMBL14805869 0.81 ALDH1A1 (0.37) KMT2AMEN1RAB9AALDH1A1TSHR
SCHEMBL8168773 0.81 FUCA1 (0.50) ALDH1A1SIGMAR1
SCHEMBL5184184 0.78 DPP7 (0.41) KMT2AMEN1RAB9AALDH1A1
SCHEMBL4780977 0.78 ALOX15 (0.38) SLC6A2SLC6A4DRD2
SCHEMBL12627343 0.76 SLC6A2 (0.41) KMT2AMEN1ALDH1A1TSHRSLC6A2
SCHEMBL4776044 0.75 RORC (0.41) SLC6A2SLC6A4
SCHEMBL4778958 0.75 ADRA1D (0.48) ALDH1A1SLC6A2SLC6A4SIGMAR1DRD2

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-6310216-B1 Special 3-azabicyclo[3.1.0]hexanes, method for producing and modifying the same, and their use BAYER AKTIENGESELLSCHAFT (DE) 2001-10-30 US disclosed
EP-1000026-A1 SPECIAL 3-AZABICYCLO 3.1.0]HEXANES, METHOD FOR PRODUCING AND MODIFYING THE SAME, AND THEIR USE Bayer Aktiengesellschaft (DE) 2000-05-17 EP disclosed
WO-1999006368-A1 SPECIAL 3-AZABICYCLO[3.1.0]HEXANES, METHOD FOR PRODUCING AND MODIFYING THE SAME, AND THEIR USE BAYER AKTIENGESELLSCHAFT (DE) 1999-02-11 WO disclosed