SCHEMBL27608922

SCHEMBL27608922

O=CC1Oc2ccccc2N1CCCl

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ SIRT1 Q96EB6 2/20 0.32
▸ TSHR P16473 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ P2RX4 Q99571 1/20 0.31

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
SCHEMBL27590506 0.91 NPC1 (0.32) NPC1LMNATP53HPGDRAB9A
SCHEMBL27608930 0.89 NPC1 (0.32) NPC1LMNATP53HPGDRAB9A
SCHEMBL27590523 0.81 BCHE (0.30) —
SCHEMBL7766488 0.80 HTT (0.35) TP53TSHRHTTP2RX4
SCHEMBL27756879 0.78 — —
SCHEMBL28756718 0.77 ALDH1A1 (0.37) NPC1LMNATP53HPGDRAB9A
SCHEMBL27629689 0.77 MTNR1A (0.32) HPGDTSHRP2RX4
SCHEMBL27749571 0.76 — —
SCHEMBL28891502 0.76 NPC1 (0.32) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL27629478 0.76 HDAC3 (0.33) LMNAHPGDP2RX4

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
CN-1561212-A Benzimidazolone Derivatives as Muscarinic Agents ACADIA PHARM INC (US) 2005-01-05 — — CN disclosed
Send feedback