SCHEMBL9813612

SCHEMBL9813612

O=C(O)NCc1cccc2c1C=CCC2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MTNR1A P48039 2/20 0.31
▸ P2RX7 Q99572 3/20 0.30
▸ LMNA P02545 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
SCHEMBL13488450 0.78 IFNAR1 (0.33) —
SCHEMBL14217532 0.77 PKM (0.44) ALDH1A1KMT2AGAAMAPTMEN1
SCHEMBL14189092 0.74 NOS3 (0.43) CYP1A2CYP2C9TSHRALDH1A1HPGD
SCHEMBL21253996 0.73 KMT2A (0.40) KMT2A
SCHEMBL18617143 0.73 — —
SCHEMBL5753321 0.71 ALDH1A1 (0.40) TSHRALDH1A1HPGDPOLBMAPT
SCHEMBL9813631 0.71 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL28259962 0.71 NQO2 (0.50) TSHRHPGDKMT2AGAAPOLB
SCHEMBL23615876 0.70 TAAR1 (0.38) CYP1A2CYP2D6MAPT
SCHEMBL28306582 0.70 DAO (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178908-B1 CO-EXTRUSION OF MULTI-COMPONENT ECTOPARASITICIDAL PET COLLARS CONAGRA PET PRODUCTS, INC. (US) 1991-07-31 — — EP disclosed
US-4803956-A Animal collar for controlling fleas and ticks A. H. ROBINS COMPANY, INCORPORATED (US) 1989-02-14 — — US disclosed
EP-0178908-A2 Co-extrusion of multi-component ectoparasiticidal pet collars CONAGRA PET PRODUCTS, INC. (US) 1986-04-23 — — EP disclosed
US-4332817-A CARBAMATES WITH ALKANEDIOLS CELANESE CORPORATION (US) 1982-06-01 — — US disclosed
US-4226881-A ARYL OR HETEROCYCLIC N-ALKYL CARBAMATE, SYNERGISTIC ALKANEDIOL CELANESE CORPORATION (US) 1980-10-07 — — US disclosed
US-4158051-A DIMETHYL DIBROMODICHLOROETHYL PHOSPHATE, NONVOLATILE CARBAMATE A. H. ROBINS COMPANY, INC. (US) 1979-06-12 — — US disclosed
US-4150109-A DIAZINON, DIAZOXONE, COLLARS DICK PIERRE R G 1979-04-17 — — US disclosed
US-4134977-A EXTRUDING PVC AND A SURFACE POROSITY CONTROL AGENT A. H. ROBINS COMPANY, INCORPORATED (US) 1979-01-16 — — US disclosed
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