SCHEMBL7966338

SCHEMBL7966338

C=CCN1CCCC(Cc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 14/20 0.48
EPHX2 P34913 1/20 0.48
CCR3 P51677 2/20 0.46
KCNH2 Q12809 1/20 0.43
STING1 Q86WV6 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6486203 0.79 EPHX2 (0.47) EPHX2KDM4EALDH1A1POLB
SCHEMBL25991218 0.71 KMT2A (0.53) EPHX2KDM4EALDH1A1POLB
SCHEMBL12677070 0.66 CHRM4 (0.61) P2RY1EPHX2
SCHEMBL22103767 0.66 EPHX2 (0.86) P2RY1EPHX2STING1
SCHEMBL2872773 0.66 IDO1 (0.56) P2RY1EPHX2STING1
SCHEMBL11555827 0.66 EPHX2 (1.00) EPHX2STING1ALDH1A1
SCHEMBL22263059 0.66 MEN1 (0.72) P2RY1EPHX2STING1KDM4EPOLB
SCHEMBL17079593 0.66 EPHX2 (0.69) P2RY1EPHX2STING1
SCHEMBL2872598 0.66 EPHX2 (0.69) P2RY1EPHX2STING1
SCHEMBL6702924 0.66 CCR3 (0.82) CCR3

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
WO-2001068604-A2 3-SUBSTITUTED PIPERIDINES COMPRISING UREA FUNCTIONALITY, AND METHODS OF USE THEREOF SEPRACOR, INC. (US) 2001-09-20 WO disclosed