SCHEMBL8084055

SCHEMBL8084055

CSc1ccc(Cl)c(C(=O)NCC23CCCC(CCC2)C3)c1.[CH2]

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
KMT2A Q03164 1/20 0.56
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
P2RX7 Q99572 15/20 0.53
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 2/20 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
SCHEMBL7570373 0.85 P2RX7 (0.72) HSD17B10KMT2AP2RX7TSHRHTT
SCHEMBL7517360 0.84 P2RX7 (0.72) P2RX7
SCHEMBL8080956 0.84 P2RX7 (0.54) P2RX7
SCHEMBL8080894 0.84 P2RX7 (0.56) P2RX7
SCHEMBL6497265 0.84 P2RX7 (0.56) HPGDP2RX7
SCHEMBL7690936 0.84 P2RX7 (0.73) P2RX7
SCHEMBL4095273 0.84 P2RX7 (0.56) P2RX7
SCHEMBL7077870 0.82 P2RX7 (0.54) P2RX7
SCHEMBL8071731 0.81 P2RX7 (0.65) P2RX7
SCHEMBL7556017 0.81 P2RX7 (0.53) P2RX7

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-A1 ADAMANTANE DERIVATIVES AstraZeneca UK Limited (GB) 2000-09-20 EP disclosed
WO-1999029661-A1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-06-17 WO disclosed