SCHEMBL8023024

SCHEMBL8023024

CCCCc1cnc2ccc3ccc(CCCC)nc3c2c1.Cc1cnc2ccc3ccc(C)nc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 7/20 0.41
▸ TLR7 Q9NYK1 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NOS2 P35228 2/20 0.32
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ CCR1 P32246 2/20 0.31
▸ CCR5 P51681 2/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ GABRP O00591 1/20 0.30
▸ GABRD O14764 1/20 0.30

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
SCHEMBL432245 0.89 PDE10A (0.40) PDE10ATLR7RAB9ANPC1TP53
SCHEMBL655615 0.79 CCR1 (0.48) RAB9APOLBCCR1CCR5CCR8
SCHEMBL10699170 0.75 CCR1 (0.56) PDE10ATLR7RAB9ATP53POLB
Neocuproine SCHEMBL8636520 0.75 CCR1 (0.56) PDE10ATLR7RAB9ATP53POLB
SCHEMBL16678778 0.69 LMNA (0.54) PDE10ATLR7GABRPGABRDGABRA1
SCHEMBL8944164 0.69 CCR1 (0.52) CCR1
SCHEMBL14732999 0.67 CCR1 (0.62) PDE10ARAB9ACCR1CCR5
SCHEMBL30285975 0.67 CCR1 (0.54) PDE10ATLR7RAB9ANOS2CCR1
SCHEMBL30459407 0.67 CCR1 (0.54) PDE10ATLR7RAB9ANOS2CCR1
SCHEMBL432244 0.67 CCR1 (0.54) PDE10ATLR7RAB9ANOS2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808796-B1 Process for the preparation of hydrogen peroxide ENICHEM SPA (IT) 2000-02-09 — — EP claimed
US-5783164-A PALLADIUM CATALYST WITH A NITROGENATED LIGAND STABLE TO OXIDATION ENICHEM S.P.A. (IT) 1998-07-21 — — US claimed
EP-0808796-A1 Process for the preparation of hydrogen peroxide ENICHEM S.p.A. (IT) 1997-11-26 — — EP claimed
EP-0808796-B1 Process for the preparation of hydrogen peroxide ENICHEM SPA (IT) 2000-02-09 — — EP disclosed
EP-0808796-A1 Process for the preparation of hydrogen peroxide ENICHEM S.p.A. (IT) 1997-11-26 — — EP disclosed
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