SCHEMBL467489

SCHEMBL467489

CC1=C[CH]CC=C1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
ALDH1A1 P00352 1/20 0.34
ACVR1 Q04771 10/20 0.34
VCP P55072 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
L3MBTL3 Q96JM7 3/20 0.33
ACHE P22303 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KCNH2 Q12809 1/20 0.32
MBTD1 Q05BQ5 1/20 0.31
BMPR1B O00238 1/20 0.30
BMPR1A P36894 1/20 0.30
ACVR1B P36896 1/20 0.30
TGFBR1 P36897 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RAD52 P43351 1/20 0.30

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
SCHEMBL2485210 0.88 KMT2A (0.33) HRH3
SCHEMBL2480167 0.85 HRH3 (0.36) ALDH1A1L3MBTL1L3MBTL3HRH3
SCHEMBL1385856 0.84 ADRA2C (0.33) ALDH1A1HRH3KDM4E
SCHEMBL467680 0.84 KCNH2 (0.38) PIM1ALDH1A1ACVR1VCPL3MBTL1
SCHEMBL2483016 0.76 GPR119 (0.30)
SCHEMBL468653 0.70 L3MBTL3 (0.46) ALDH1A1L3MBTL1L3MBTL3HRH3KCNH2
SCHEMBL2477492 0.69 ADRB1 (0.40)
SCHEMBL2482791 0.69 CASP1 (0.34) ACHE
SCHEMBL2480845 0.67 KDM4E (0.39) ALDH1A1HRH3KDM4E
SCHEMBL13616253 0.67 L3MBTL3 (0.59) ALDH1A1VCPL3MBTL1L3MBTL3MBTD1

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-2387395-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER Rigel Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-8040491-B2 Exposure method, substrate stage, exposure apparatus, and device manufacturing method NIKON CORPORATION (JP) 2011-10-18 US disclosed