SCHEMBL13373129

SCHEMBL13373129

COc1ccc2cccnc2c1N1CCCN(CC2CCCN(C(=O)C3CCCC3)C2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.58
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
LMNA P02545 1/20 0.39
KDM2B Q8NHM5 2/20 0.39
CHRM4 P08173 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 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
SCHEMBL13372998 1.00 ACKR3 (0.58) ACKR3ALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL13373002 0.91 ACKR3 (0.56) ACKR3ALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL13373003 0.90 ACKR3 (0.55) ACKR3ALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL13373038 0.87 ACKR3 (0.48) ACKR3HTR2AHTR2CHTR7CHRM4
SCHEMBL13373030 0.87 ACKR3 (0.48) ACKR3HTR2AHTR2CHTR7CHRM4
SCHEMBL13373031 0.87 ACKR3 (0.48) ACKR3HTR2AHTR2CHTR7CHRM4
SCHEMBL13373127 0.84 ACKR3 (0.53) ACKR3MAPTHTR2AHTR2CHTR7
SCHEMBL13373000 0.84 ACKR3 (0.53) ACKR3ALDH1A1MAPTHTR2AHTR2C
SCHEMBL13373028 0.83 ACKR3 (0.52) ACKR3ALDH1A1MAPTHTR2AHTR2C
SCHEMBL13372994 0.82 ACKR3 (0.51) ACKR3HTR2AHTR2CHTR7CHRM4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288373-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2012-10-16 US disclosed