SCHEMBL13373003

SCHEMBL13373003

COc1ccc2cccnc2c1N1CCCN(CC2CCN(C(=O)C3CCCCC3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 9/20 0.55
CHRM4 P08173 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL13373002 0.99 ACKR3 (0.56) ACKR3CHRM4MEN1KMT2AHTR1A
SCHEMBL13373129 0.90 ACKR3 (0.58) ACKR3CHRM4HTR1AADRA1DADRA1A
SCHEMBL13372998 0.90 ACKR3 (0.58) ACKR3CHRM4HTR1AADRA1DADRA1A
SCHEMBL13373028 0.89 ACKR3 (0.52) ACKR3CHRM4ADRA1AALDH1A1MAPT
SCHEMBL13373127 0.89 ACKR3 (0.53) ACKR3CHRM4MAPTHTR2AHTR2C
SCHEMBL13373000 0.88 ACKR3 (0.53) ACKR3CHRM4ALDH1A1MAPTHTR2A
SCHEMBL13372982 0.88 CHRM4 (0.51) ACKR3CHRM4MAPTHTR2AHTR2C
SCHEMBL13373004 0.87 ACKR3 (0.51) ACKR3CHRM4MAPTHTR2AHTR2C
SCHEMBL13372986 0.87 ACKR3 (0.51) ACKR3CHRM4MAPTHTR2AHTR2C
SCHEMBL13373118 0.87 ACKR3 (0.51) ACKR3CHRM4MAPTHTR2AHTR2C

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