SCHEMBL7126767

SCHEMBL7126767

C=CCN1CCCCC1.CC(=O)Nc1cc(CCCN2CCCCC2)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
CCR2 P41597 6/20 0.41
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
HTR2A P28223 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TRPV4 Q9HBA0 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL447181 0.92 HRH3 (0.47) HRH3CCR2UBE2MDCUN1D1HTR2A
SCHEMBL445308 0.81 EPHX2 (0.51) ALDH1A1TRPV4SIGMAR1
SCHEMBL428036 0.73 SIGMAR1 (0.51) HRH3CCR2KDM4EALDH1A1SIGMAR1
SCHEMBL448430 0.72 MEN1 (0.49) CCR2UBE2MDCUN1D1KDM4EALDH1A1
SCHEMBL444935 0.71 MAPT (0.50) ALDH1A1TRPV4
SCHEMBL21974820 0.71 DDR2 (0.56) KDM4EALDH1A1TDP1KDM4C
SCHEMBL7111066 0.71 HRH3 (0.47) HRH3CCR2KDM4EALDH1A1SIGMAR1
SCHEMBL9886158 0.71 MAPT (0.47) ALDH1A1
SCHEMBL22705221 0.70 KDM4E (0.44) HRH3KDM4EALDH1A1SIGMAR1
SCHEMBL10751967 0.70 LMNA (0.47) ALDH1A1

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-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed