SCHEMBL13373000

SCHEMBL13373000

COc1ccc2cccnc2c1N1CCCN(CC2CCN(C(=O)CC3CCCC3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 9/20 0.53
CHRM4 P08173 2/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR7 P34969 2/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
KCNH2 Q12809 1/20 0.38
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
SCHEMBL13373028 0.99 ACKR3 (0.52) ACKR3CHRM4KDM4EALDH1A1HSD17B10
SCHEMBL13373034 0.89 ACKR3 (0.50) ACKR3CHRM4KDM4EALDH1A1LMNA
SCHEMBL13373002 0.89 ACKR3 (0.56) ACKR3CHRM4ALDH1A1MAPTKCNH2
SCHEMBL13373127 0.89 ACKR3 (0.53) ACKR3CHRM4HTR2AHTR2CHTR7
SCHEMBL13373003 0.88 ACKR3 (0.55) ACKR3CHRM4ALDH1A1HTR2AHTR2C
SCHEMBL13372982 0.88 CHRM4 (0.51) ACKR3CHRM4KDM4EHTR2AHTR2C
SCHEMBL13372986 0.87 ACKR3 (0.51) ACKR3CHRM4HTR2AHTR2CHTR7
SCHEMBL13373004 0.87 ACKR3 (0.51) ACKR3CHRM4HTR2AHTR2CHTR7
SCHEMBL13373118 0.87 ACKR3 (0.51) ACKR3CHRM4HTR2AHTR2CHTR7
SCHEMBL13372991 0.86 ACKR3 (0.50) ACKR3CHRM4HTR2AHTR2CHTR7

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