Sugi Predict

Sugi Predict / Compounds / SCHEMBL7656374

SCHEMBL7656374

SCHEMBL7656374

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(N2CCNCC2)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 18/20 1.00
▸ AVPR1A P37288 1/20 0.57

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
SCHEMBL7656706 0.96 P2RX7 (0.92) P2RX7AVPR1A
SCHEMBL7569495 0.92 P2RX7 (0.85) P2RX7AVPR1A
SCHEMBL7660582 0.92 P2RX7 (0.84) P2RX7
SCHEMBL7667213 0.88 P2RX7 (0.78) P2RX7AVPR1A
SCHEMBL7667288 0.86 P2RX7 (0.76) P2RX7
SCHEMBL7666316 0.86 P2RX7 (0.76) P2RX7AVPR1A
SCHEMBL7562003 0.86 P2RX7 (0.75) P2RX7AVPR1A
SCHEMBL7658504 0.84 P2RX7 (0.72) P2RX7AVPR1A
SCHEMBL7660573 0.84 P2RX7 (0.72) P2RX7AVPR1A
SCHEMBL7663299 0.83 P2RX7 (1.00) 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
US-6492355-B1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-10 — — US claimed
US-6492355-B1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-10 — — US disclosed