SCHEMBL11446283

SCHEMBL11446283

CC(CN1CCN(c2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 4/20 0.49
▸ ADRA1A P35348 4/20 0.49
▸ ADRA1B P35368 4/20 0.49
▸ ADRB2 P07550 3/20 0.49
▸ ADRB1 P08588 3/20 0.49
▸ ADRB3 P13945 3/20 0.49
▸ TSHR P16473 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 3/20 0.47
▸ GAA P10253 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ IGF1R P08069 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL11466064 0.92 ADRA1D (0.49) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL11446121 0.86 ADRA1D (0.49) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL11456846 0.86 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL11447611 0.86 ADRA1D (0.52) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL11454790 0.85 HTR1A (0.49) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL11446599 0.84 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL11457400 0.83 ADRA1D (0.53) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL11446709 0.83 GFER (0.54) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL11446553 0.81 DRD3 (0.52) TSHRMAPTHTTMEN1KMT2A
SCHEMBL11446596 0.80 MAPT (0.49) ADRA1DADRA1AADRA1BADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4205173-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1980-05-27 — — US disclosed
US-4204067-A Derivatives of imidazo[2,1-b] thiazole ADHIKARY PARIMAL K 1980-05-20 — — US disclosed
US-4160840-A Derivatives of imidazoindole and imidazothiazole ADHIKARY PARIMAL K 1979-07-10 — — US disclosed
US-4143142-A NOVEL PYRIDO-IMIDAZO-INDOLES, COMPOSITIONS AND METHOD THEREWITH ADHIKARY PARIMAL K 1979-03-06 — — US disclosed
US-4085107-A ANALGESICS PENNWALT CORPORATION (US) 1978-04-18 — — US disclosed
US-4060526-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1977-11-29 — — US disclosed
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