SCHEMBL11446294

SCHEMBL11446294

COc1ccc(N2CCN(CC(C)Nc3ccccc3C(N)=O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 2/20 0.54
▸ ADRA1D P25100 2/20 0.54
▸ ADRA1A P35348 2/20 0.54
▸ ADRA1B P35368 2/20 0.54
▸ ADRB2 P07550 1/20 0.54
▸ ADRB3 P13945 1/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ PPARG P37231 1/20 0.52
▸ NR2E3 Q9Y5X4 1/20 0.52
▸ NCOR2 Q9Y618 1/20 0.52
▸ HTR2A P28223 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ GAA P10253 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL11446383 0.90 HTR1A (0.59) ADRA1DADRA1AADRA1BKMT2AMAPT
SCHEMBL11446599 0.89 ADRA1D (0.51) ADRB1ADRA1DADRA1AADRA1BADRB2
SCHEMBL11456957 0.88 ALDH1A1 (0.47) ADRB1ADRA1DADRA1AADRA1BADRB2
SCHEMBL11446384 0.88 ADRA1D (0.43) ADRB1ADRA1DADRA1AADRA1BADRB2
SCHEMBL11446219 0.88 ADRA1D (0.45) ADRB1ADRA1DADRA1AADRA1BADRB2
Hydrochloric Acid SCHEMBL11457400 0.88 ADRA1D (0.53) ADRB1ADRA1DADRA1AADRA1BADRB2
SCHEMBL11446709 0.88 GFER (0.54) ADRB1ADRA1DADRA1AADRA1BADRB2
SCHEMBL11454733 0.88 ADRA1D (0.53) ADRB1ADRA1DADRA1AADRA1BADRB2
SCHEMBL11447343 0.87 ADRB2 (0.52) ADRB1ADRA1DADRA1AADRA1BADRB2
SCHEMBL11446224 0.83 HTR1A (0.63) ADRB1ADRA1DADRA1AADRA1BADRB2

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 3 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-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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