SCHEMBL9813631

SCHEMBL9813631

O=C(O)NCc1cccc2c1CC=CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HTT P42858 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SETDB1 Q15047 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ FABP3 P05413 1/20 0.32
▸ FABP4 P15090 1/20 0.32

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
SCHEMBL1365387 0.75 PNMT (0.55) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL29935885 0.72 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL9156343 0.72 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL9813612 0.71 CYP1A2 (0.37) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL11157053 0.70 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL27682450 0.70 ALDH1A1 (0.53) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL21224523 0.69 MTNR1A (0.50) CYP2D6CYP2C9MTNR1A
SCHEMBL29083019 0.68 ALDH1A1 (0.44) TSHRALDH1A1HPGDMAPTPOLB
SCHEMBL9388490 0.68 LMNA (0.44) KMT2AALDH1A1HTTMEN1LMNA
SCHEMBL935059 0.67 HPGD (0.54) CYP1A2CYP2D6CYP2C9TSHRCYP2C19

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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