Sugi Predict

Sugi Predict / Compounds / SCHEMBL7658372

SCHEMBL7658372

SCHEMBL7658372

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CN2CC3CNCC(C2)O3)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 17/20 0.73
▸ AVPR1A P37288 2/20 0.72

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
SCHEMBL7668387 0.90 P2RX7 (0.78) P2RX7AVPR1A
SCHEMBL7663352 0.89 P2RX7 (0.77) P2RX7AVPR1A
SCHEMBL7663347 0.89 P2RX7 (0.77) P2RX7AVPR1A
SCHEMBL7663299 0.84 P2RX7 (1.00) P2RX7
SCHEMBL7657585 0.83 P2RX7 (0.93) P2RX7AVPR1A
SCHEMBL7557096 0.81 P2RX7 (0.64) P2RX7AVPR1A
SCHEMBL7557040 0.81 P2RX7 (0.78) P2RX7
SCHEMBL7664436 0.80 P2RX7 (0.66) P2RX7
SCHEMBL7664442 0.80 P2RX7 (0.66) P2RX7
SCHEMBL7656142 0.80 P2RX7 (0.74) P2RX7AVPR1A

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