SCHEMBL6911754

SCHEMBL6911754

C[C@H](NC(=O)O)C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
MAPK1 P28482 1/20 0.55
GAA P10253 2/20 0.54
CCR1 P32246 1/20 0.53
ATM Q13315 1/20 0.52
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 2/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NAMPT P43490 1/20 0.51
ALOX5 P09917 1/20 0.50
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL31641754 0.90 MAPK1 (0.54) POLBMAPK1GAACCR1ATM
SCHEMBL6912119 0.87 CCR1 (0.62) CCR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL9891789 0.82 MAPK1 (0.62) POLBMAPK1GAAALDH1A1MEN1
SCHEMBL11833579 0.80 MAPK1 (0.59) POLBMAPK1GAACCR1ALDH1A1
SCHEMBL6911412 0.79 GAA (0.44) POLBGAACCR1ALDH1A1LMNA
SCHEMBL13645833 0.78 CCR1 (0.66) POLBMAPK1GAACCR1ATM
SCHEMBL16357643 0.78 MAPK1 (0.57) POLBMAPK1GAACCR1ALDH1A1
Hydrochloric Acid SCHEMBL7632441 0.78 MAPK1 (0.57) POLBMAPK1GAACCR1ALDH1A1
SCHEMBL11049712 0.78 GAA (0.68) POLBMAPK1GAAATMALDH1A1
Hydrochloric Acid SCHEMBL6913635 0.78 MAPK1 (0.57) POLBMAPK1GAACCR1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825200-B1 TREATING, PROLONGING, OR EXTENDING THE ONSET OF ORGAN REJECTION IN A HUMAN DURING OR AFTER ORGAN TRANSPLANTATION IN A HUMAN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-30 US disclosed
EP-1226159-A1 SUBSTITUTED DIPEPTIDES HAVING NOS INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-31 EP disclosed
WO-2001032690-A1 SUBSTITUTED DIPEPTIDES HAVING NOS INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-10 WO disclosed