SCHEMBL7570179

SCHEMBL7570179

N#Cc1ccccc1Sc1ccccc1C(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
GBA1 P04062 1/20 0.58
P2RX7 Q99572 9/20 0.57
LMNA P02545 4/20 0.54
POLB P06746 3/20 0.54
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL7573037 0.82 P2RX7 (0.69) P2RX7MEN1KMT2AALDH1A1
SCHEMBL7572585 0.80 P2RX7 (0.70) HPGDP2RX7MEN1KMT2AALDH1A1
SCHEMBL8381564 0.74 P2RX7 (0.72) P2RX7
SCHEMBL7572613 0.74 P2RX7 (0.72) HPGDP2RX7MEN1MAPTHTT
SCHEMBL7570510 0.73 P2RX7 (0.60) P2RX7LMNAMEN1MAPTKMT2A
SCHEMBL7568670 0.73 P2RX7 (0.71) P2RX7MEN1KMT2AALDH1A1
SCHEMBL31424200 0.73 P2RX7 (0.76) P2RX7
SCHEMBL14160432 0.73 P2RX7 (0.71) P2RX7
SCHEMBL7570190 0.73 P2RX7 (1.00) P2RX7LMNA
SCHEMBL7568709 0.73 P2RX7 (1.00) P2RX7MEN1KMT2AALDH1A1

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-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP claimed
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP disclosed