SCHEMBL5710657

SCHEMBL5710657

O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccnc(NCCCN(CCCO)CCCO)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.50
EPHX2 P34913 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Hydrochloric Acid SCHEMBL5710579 0.99 P2RX7 (0.49) P2RX7EPHX2MEN1ALDH1A1HPGD
SCHEMBL5710719 0.86 P2RX7 (0.54) P2RX7MEN1ALDH1A1HPGDKMT2A
SCHEMBL5710446 0.86 P2RX7 (0.42) P2RX7EPHX2MEN1ALDH1A1KMT2A
SCHEMBL5710464 0.85 P2RX7 (0.53) P2RX7MEN1ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL5710441 0.85 P2RX7 (0.53) P2RX7MEN1ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL6687069 0.78 CDK1 (0.36) ALDH1A1HPGD
SCHEMBL5710569 0.77 P2RX7 (0.65) P2RX7MEN1ALDH1A1HPGDKMT2A
SCHEMBL5773216 0.76 P2RX7 (0.56) P2RX7
SCHEMBL7568729 0.71 P2RX7 (0.54) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL5773010 0.69 P2RX7 (0.63) P2RX7MEN1ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448195-B1 N-ADAMANTYLMETHYL DERIVATES AND INTERMEDIATES AS PHARMACEUTICAL COMPOSITIONS AND PROCESSES FOR THEIR PREPARATION ASTRAZENECA AB (SE) 2006-11-02 EP claimed