SCHEMBL7572059

SCHEMBL7572059

CSc1ncccc1C(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL7571707 0.85 P2RX7 (0.57) P2RX7MEN1KMT2AHPGDRAB9A
SCHEMBL7571525 0.84 P2RX7 (0.55) P2RX7MEN1KMT2AKDM4EALDH1A1
SCHEMBL3458610 0.84 P2RX7 (0.68) P2RX7MEN1KMT2AKDM4EALDH1A1
SCHEMBL7571682 0.82 ALDH1A1 (0.60) P2RX7MEN1KMT2AALDH1A1
SCHEMBL7571520 0.82 P2RX7 (0.58) P2RX7MEN1KMT2AALDH1A1
SCHEMBL7572019 0.82 P2RX7 (0.62) P2RX7MEN1KMT2AKDM4EALDH1A1
SCHEMBL13958643 0.81 P2RX7 (0.58) P2RX7MEN1KMT2AKDM4EALDH1A1
SCHEMBL7572974 0.81 P2RX7 (0.60) P2RX7MEN1KMT2AKDM4EALDH1A1
SCHEMBL7570015 0.81 P2RX7 (0.54) P2RX7MEN1KMT2AKDM4EALDH1A1
SCHEMBL7578023 0.81 P2RX7 (0.49) P2RX7MEN1KMT2AKDM4EALDH1A1

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