SCHEMBL301764

SCHEMBL301764

CCN(C(=O)C1(c2ccc(OC)cc2)CC1)C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 3/20 0.41
CCR5 P51681 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HTR2A P28223 1/20 0.38
CCR3 P51677 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL3555629 0.95 RXFP1 (0.42) MEN1KMT2ARXFP1LMNASMN1; SMN2
SCHEMBL3562203 0.92 MEN1 (0.44) MEN1KMT2ARXFP1LMNASMN1; SMN2
SCHEMBL301630 0.90 MEN1 (0.44) MEN1KMT2ARXFP1LMNASMN1; SMN2
SCHEMBL3556044 0.86 POLB (0.48) RXFP1LMNASMN1; SMN2POLBCCR5
SCHEMBL3557526 0.85 CNR1 (0.42) LMNASMN1; SMN2POLBMAPK1TP53
SCHEMBL3560822 0.85 UTS2R (0.42) MEN1KMT2APOLBCCR5TP53
SCHEMBL3556349 0.85 CCR5 (0.52) RXFP1LMNASMN1; SMN2POLBCCR5
SCHEMBL3559074 0.82 CNR1 (0.46) LMNASMN1; SMN2POLBMAPK1TP53
SCHEMBL3560776 0.82 UTS2R (0.46) MEN1KMT2APOLBTP53MAPT
SCHEMBL302944 0.80 CNR1 (0.46) LMNASMN1; SMN2POLBMAPK1TP53

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
JP-4851328-B2 2012-01-11 JP claimed