SCHEMBL7347682

SCHEMBL7347682

CC(C)CC(N)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCC(C)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.51
OPRK1 P41145 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
IL1RN P18510 1/20 0.48
ERAP2 Q6P179 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
DPP7 Q9UHL4 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
YAP1 P46937 1/20 0.47

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
SCHEMBL7346374 0.92 CACNA1B (0.52) CACNA1BOPRK1IL1RNERAP2ERAP1
SCHEMBL7338900 0.90 CACNA1B (0.50) CACNA1BOPRK1IL1RNERAP2ERAP1
SCHEMBL7340762 0.89 CACNA1B (0.59) CACNA1BOPRK1IL1RNERAP2ERAP1
SCHEMBL7340061 0.87 CACNA1B (0.52) CACNA1BOPRK1KMT2AIL1RNERAP2
SCHEMBL7343479 0.86 CACNA1B (0.55) CACNA1BOPRK1KMT2AIL1RNERAP2
SCHEMBL7347989 0.86 CACNA1B (0.53) CACNA1BOPRK1KMT2AYAP1
SCHEMBL7345184 0.86 KMT2A (0.52) CACNA1BOPRK1KMT2AIL1RNERAP2
SCHEMBL7341217 0.85 TACR2 (0.50) CACNA1BKMT2AALDH1A1MAPTIL1RN
SCHEMBL7339911 0.85 CACNA1B (0.52) CACNA1BOPRK1KMT2AIL1RNERAP2
SCHEMBL7336001 0.85 CACNA1B (0.52) CACNA1BOPRK1KMT2AMAPTIL1RN

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
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed